All Stories

  1. Conformational switch of NPC1 epitomizes a lumen-to-membrane alternating access model for nonpolar substrates

    Article • Proceedings of the National Academy of Sciences, October 2026, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  2. Regulation of Membrane Association and Downstream Effector Interaction of K-Ras by Its Hypervariable Region

    Article • Membranes, September 2026, MDPI AG

    Emad Tajkhorshid

  3. Regulation of Membrane Association and Downstream Effector Interaction of K-Ras by Its Hypervariable Region

    Article • August 2026, MDPI AG

    Emad Tajkhorshid

  4. Evolution of N‐terminal mechanical lability as a determinant for Type III secretion

    Article • Protein Science, July 2026, Wiley

    Emad Tajkhorshid

  5. Role of stereochemistry on electron transport in peptides

    Article • June 2026, openRxiv

    Emad Tajkhorshid

  6. Cytosolic K + Binding to the Human Serotonin Transporter

    Article • Journal of Chemical Theory and Computation, June 2026, American Chemical Society (ACS)

    Emad Tajkhorshid

  7. Characterization and Computational Engineering of Structural Elements Controlling Gas Permeability in PIP2 ;1 Aquaporins

    Article • Journal of Computational Chemistry, April 2026, Wiley

    Emad Tajkhorshid

  8. Probing Solution Dynamics of Tissue Factor Using Molecular Dynamics Simulations Guided by NMR Chemical Shifts

    Article • The Journal of Physical Chemistry B, March 2026, American Chemical Society (ACS)

    Emad Tajkhorshid

  9. Single-Molecule Electron Transport in Peptoids

    Article • The Journal of Physical Chemistry B, March 2026, American Chemical Society (ACS)

    Emad Tajkhorshid

  10. Probing the role of membrane in neutralizing activity of antibodies against influenza virus

    Article • Structure, February 2026, Elsevier

    Emad Tajkhorshid

  11. Elucidating the Binding and Metabolic Interactions of Sunitinib and Sorafenib with CYP2U1 and CYP2D6

    Article • Molecular Pharmacology, February 2026, Elsevier

    Emad Tajkhorshid

  12. Thermodynamic and Kinetic Analysis of Molecular Conformational Dynamics in a Riemannian Framework

    Article • The Journal of Physical Chemistry A, January 2026, American Chemical Society (ACS)

    Emad Tajkhorshid

  13. Elevator mechanism dynamics in a sodium-coupled dicarboxylate transporter

    Article • Proceedings of the National Academy of Sciences, January 2026, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  14. Impact of Lipid Composition on Membrane Partitioning and Permeability of Gas Molecules

    Article • Membranes, January 2026, MDPI AG

    Emad Tajkhorshid

  15. Cholesterol efflux protein, ABCA1, supports anticancer functions of myeloid immune cells

    Article • Science Advances, January 2026, American Association for the Advancement of Science

    Emad Tajkhorshid

  16. A Type III secretion system effector evolved to be mechanically labile and initiate unfolding from the N-terminus

    Article • December 2025, openRxiv

    Emad Tajkhorshid

  17. Cryo-EM structure of the tissue factor/factor VIIa complex with a factor X mimetic reveals a novel allosteric mechanism

    Article • Blood, December 2025, American Society of Hematology

    Emad Tajkhorshid

  18. Impact of Lipid Composition on Membrane Partitioning and Permeability of Gas Molecules

    Article • December 2025, MDPI AG

    Emad Tajkhorshid

  19. Impact of anionic lipids on the energy landscape of conformational transition in anion exchanger 1 (AE1)

    Article • Nature Communications, November 2025, Springer Science + Business Media

    Emad Tajkhorshid

  20. Drug-bound outward-facing conformation of a heterodimeric ABC exporter suggests a putative mechanism of drug translocation

    Article • Nature Communications, November 2025, Springer Science + Business Media

    Emad Tajkhorshid

  21. Roles of the membrane-binding motif and the C-terminal domain of RNase E in localization and diffusion in E. coli

    Article • eLife, November 2025, eLife

    Emad Tajkhorshid

  22. Roles of the membrane-binding motif and the C-terminal domain of RNase E in localization and diffusion in E. coli

    Article • eLife, November 2025, eLife

    Emad Tajkhorshid

  23. Single-molecule imaging reveals the roles of the membrane-binding motif and the C-terminal domain of RNase E in its localization and diffusion in Escherichia coli

    Article • October 2025, eLife

    Emad Tajkhorshid

  24. Ca2+ Stoichiometry Controls the Binding Mode of the PKCα C2 Domain to Anionic Membranes

    Article • The Journal of Physical Chemistry B, August 2025, American Chemical Society (ACS)

    Emad Tajkhorshid

  25. Voltage sensor conformations induced by LQTS-associated mutations in hERG potassium channels

    Article • Nature Communications, August 2025, Springer Science + Business Media

    Emad Tajkhorshid

  26. Molecular dynamics simulations of biological membranes and membrane-associated phenomena across scales

    Article • Current Opinion in Structural Biology, August 2025, Elsevier

    Emad Tajkhorshid

  27. An Orchestrated Interaction Network at the Binding Site of Human SERT Enables the Serotonin Occlusion and Import

    Article • Biochemistry, July 2025, American Chemical Society (ACS)

    Emad Tajkhorshid

  28. The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift Pathway

    Article • The Journal of Physical Chemistry B, June 2025, American Chemical Society (ACS)

    Emad Tajkhorshid

  29. Restricted Surface Diffusion of Cytochromes on Bioenergetic Membranes with Anionic Lipids

    Article • Membranes, April 2025, MDPI AG

    Emad Tajkhorshid

  30. Amino Acid Sequence Controls Enhanced Electron Transport in Heme-Binding Peptide Monolayers

    Article • ACS Central Science, April 2025, American Chemical Society (ACS)

    Emad Tajkhorshid

  31. Dissecting Large-Scale Structural Transitions in Membrane Transporters Using Advanced Simulation Technologies

    Article • The Journal of Physical Chemistry B, March 2025, American Chemical Society (ACS)

    Emad Tajkhorshid

  32. Conformational free energy landscape of a glutamate transporter and microscopic details of its transport mechanism

    Article • Proceedings of the National Academy of Sciences, March 2025, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  33. Lipid-mediated mechanism of drug extrusion by a heterodimeric ABC exporter

    Article • February 2025, openRxiv

    Emad Tajkhorshid

  34. Probing the Role of Membrane in Neutralizing Activity of Antibodies Against Influenza Virus

    Article • February 2025, openRxiv

    Emad Tajkhorshid

  35. Membrane-bound model of the ternary complex between factor VIIa/tissue factor and factor X

    Article • Blood Advances, February 2025, American Society of Hematology

    Emad Tajkhorshid

  36. Single-molecule imaging reveals the role of membrane-binding motif and C-terminal domain of RNase E in its localization and diffusion in Escherichia coli

    Article • January 2025, eLife

    Emad Tajkhorshid

  37. Enabling Atomistic Modeling and Simulation of Complex Curved Cellular Membranes with xMAS Builder

    Article • January 2025, openRxiv

    Emad Tajkhorshid

  38. Modeling Diffusive Motion of Ferredoxin and Plastocyanin on the PSI Domain of Procholorococcus marinus MIT9313

    Article • The Journal of Physical Chemistry B, December 2024, American Chemical Society (ACS)

    Emad Tajkhorshid

  39. The Role of Protein–Lipid Interactions in Priming the Bacterial Translocon

    Article • Membranes, November 2024, MDPI AG

    Emad Tajkhorshid

  40. Single-molecule imaging reveals the roles of the membrane-binding motif and the C-terminal domain of RNase E in its localization and diffusion in Escherichia coli

    Article • November 2024, openRxiv

    Emad Tajkhorshid

  41. Atomistic characterization of β2-glycoprotein I domain V interaction with anionic membranes

    Article • Journal of Thrombosis and Haemostasis, November 2024, Elsevier

    Emad Tajkhorshid

  42. The Role of Protein-Lipid Interactions in Priming the Bacterial Translocon

    Article • October 2024, MDPI AG

    Emad Tajkhorshid

  43. Impact of anionic lipids on the energy landscape of conformational transition in anion exchanger 1 (AE1)

    Article • October 2024, openRxiv

    Emad Tajkhorshid

  44. Structure of the human dopamine transporter and mechanisms of inhibition

    Article • Nature, August 2024, Springer Science + Business Media

    Dr Kenneth A. Jacobson, Emad Tajkhorshid

  45. Secondary structure determines electron transport in peptides

    Article • Proceedings of the National Academy of Sciences, July 2024, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  46. GOLEM: Automated and Robust Cryo-EM-Guided Ligand Docking with Explicit Water Molecules

    Article • Journal of Chemical Information and Modeling, July 2024, American Chemical Society (ACS)

    Emad Tajkhorshid

  47. Broadening access to small-molecule parameterization with the force field toolkit

    Article • The Journal of Chemical Physics, June 2024, American Institute of Physics

    Emad Tajkhorshid

  48. Topological Learning Approach to Characterizing Biological Membranes

    Article • Journal of Chemical Information and Modeling, June 2024, American Chemical Society (ACS)

    Emad Tajkhorshid

  49. Improved Highly Mobile Membrane Mimetic Model for Investigating Protein–Cholesterol Interactions

    Article • Journal of Chemical Information and Modeling, June 2024, American Chemical Society (ACS)

    Emad Tajkhorshid

  50. A Gram-negative-selective antibiotic that spares the gut microbiome

    Article • Nature, May 2024, Springer Science + Business Media

    Emad Tajkhorshid

  51. Voltage Sensor Conformations Induced by LQTS-associated Mutations in hERG Potassium Channels

    Article • May 2024, openRxiv

    Emad Tajkhorshid

  52. Beyond nothingness in the formation and functional relevance of voids in polymer films

    Article • Nature Communications, April 2024, Springer Science + Business Media

    Emad Tajkhorshid

  53. Generating Concentration Gradients across Membranes for Molecular Dynamics Simulations of Periodic Systems

    Article • International Journal of Molecular Sciences, March 2024, MDPI AG

    Emad Tajkhorshid

  54. Atomistic Characterization of Beta-2-Glycoprotein I Domain V Interaction with Anionic Membranes

    Article • March 2024, openRxiv

    Emad Tajkhorshid

  55. Elucidating the Mechanism of Metabolism of Cannabichromene by Human Cytochrome P450s

    Article • Journal of Natural Products, March 2024, American Chemical Society (ACS)

    Emad Tajkhorshid

  56. Secondary structure determines electron transport in peptides

    Article • February 2024, openRxiv

    Emad Tajkhorshid

  57. A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture

    Article • Communications Chemistry, February 2024, Springer Science + Business Media

    Emad Tajkhorshid

  58. Integrative analysis of pathogenic variants in glucose-6-phosphatase based on an AlphaFold2 model

    Article • PNAS Nexus, January 2024, Oxford University Press (OUP)

    Emad Tajkhorshid

  59. Cybershuttle: An End-to-End Cyberinfrastructure Continuum to Accelerate Discovery in Science and Engineering

    Article • July 2023, ACM (Association for Computing Machinery)

    Emad Tajkhorshid, Ryan Golden

  60. Machine learning guided sampling of protein transition pathways

    Article • Biophysical Journal, February 2023, Elsevier

    Emad Tajkhorshid

  61. Differential dynamics and direct interaction of bound ligands with lipids in multidrug transporter ABCG2

    Article • Proceedings of the National Academy of Sciences, December 2022, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  62. Posttranslational modifications optimize the ability of SARS-CoV-2 spike for effective interaction with host cell receptors

    Article • Proceedings of the National Academy of Sciences, June 2022, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  63. Experiences Porting NAMD to the Data Parallel C++ Programming Model

    Article • May 2022, ACM (Association for Computing Machinery)

    Emad Tajkhorshid

  64. Role of internal loop dynamics in antibiotic permeability of outer membrane porins

    Article • Proceedings of the National Academy of Sciences, February 2022, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  65. Post-Translational Modifications Optimize the Ability of SARS-CoV-2 Spike for Effective Interaction with Host Cell Receptors

    Article • December 2021, openRxiv

    Emad Tajkhorshid

  66. Microscopic Characterization of the Chloride Permeation Pathway in the Human Excitatory Amino Acid Transporter 1 (EAAT1)

    Article • November 2021, openRxiv

    Emad Tajkhorshid

  67. PIP2-dependent coupling of voltage sensor and pore domains in Kv7.2 channel

    Article • Communications Biology, October 2021, Springer Science + Business Media

    Emad Tajkhorshid

  68. Ataxia-linked SLC1A3 mutations alter EAAT1 chloride channel activity and glial regulation of CNS function

    Article • October 2021, openRxiv

    Emad Tajkhorshid

  69. Structural transitions permitting ligand entry and exit in bacterial fatty acid binding proteins

    Article • September 2021, openRxiv

    Emad Tajkhorshid

  70. Investigation of gating in outer membrane porins provides new perspectives on antibiotic resistance mechanisms

    Article • September 2021, openRxiv

    Emad Tajkhorshid

  71. Differential Interactions of Selected Phytocannabinoids with Human CYP2D6 Polymorphisms

    Article • Biochemistry, September 2021, American Chemical Society (ACS)

    Emad Tajkhorshid

  72. Molecular mechanism of prestin electromotive signal amplification

    Article • Cell, September 2021, Elsevier

    Emad Tajkhorshid

  73. Molecular mechanism of capsid disassembly in hepatitis B virus

    Article • Proceedings of the National Academy of Sciences, August 2021, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  74. Structure of a membrane protein that conserves the energy from oxygen respiration

    Article • Proceedings of the National Academy of Sciences, August 2021, Proceedings of the National Academy of Sciences

    Robert Gennis, Emad Tajkhorshid

  75. Rationalizing generation of broad spectrum antibiotics with the addition of a primary amine

    Article • August 2021, openRxiv

    Emad Tajkhorshid

  76. Amphiphilic Distyrylbenzene Derivatives as Potential Therapeutic and Imaging Agents for Soluble and Insoluble Amyloid β Aggregates in Alzheimer’s Disease

    Article • Journal of the American Chemical Society, July 2021, American Chemical Society (ACS)

    Emad Tajkhorshid

  77. Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane

    Article • Biophysical Journal, July 2021, Elsevier

    Emad Tajkhorshid

  78. Structural basis of complex formation between mitochondrial anion channel VDAC1 and Hexokinase-II

    Article • Communications Biology, June 2021, Springer Science + Business Media

    Emad Tajkhorshid

  79. Defining the Energetic Basis for a Conformational Switch Mediating Ligand-Independent Activation of Mutant Estrogen Receptors in Breast Cancer

    Article • Molecular Cancer Research, May 2021, American Association for Cancer Research (AACR)

    Professor Geoffrey L Greene, Emad Tajkhorshid

  80. PIP 2 -dependent coupling of voltage sensor and pore domains in K v 7.2

    Article • May 2021, openRxiv

    Emad Tajkhorshid

  81. Mechanical properties of ester- and ether-DPhPC bilayers: A molecular dynamics study

    Article • Journal of the Mechanical Behavior of Biomedical Materials, May 2021, Elsevier

    Emad Tajkhorshid

  82. Structural insights into photosystem II assembly

    Article • Nature Plants, April 2021, Springer Science + Business Media

    Dr Benjamin D Engel, Emad Tajkhorshid

  83. Extended-Ensemble Docking to Probe Evolution of Ligand Binding Sites During Large-Scale Structural Changes of Proteins

    Article • March 2021, openRxiv

    Emad Tajkhorshid

  84. Classical molecular dynamics

    Article • The Journal of Chemical Physics, March 2021, American Institute of Physics

    Emad Tajkhorshid

  85. Glutamate transporters have a chloride channel with two hydrophobic gates

    Article • Nature, February 2021, Springer Science + Business Media

    Emad Tajkhorshid

  86. Anti-inflammatory dopamine- and serotonin-based endocannabinoid epoxides reciprocally regulate cannabinoid receptors and the TRPV1 channel

    Article • Nature Communications, February 2021, Springer Science + Business Media

    Emad Tajkhorshid

  87. Molecular Mechanism of Capsid Disassembly in Hepatitis B Virus

    Article • February 2021, openRxiv

    Emad Tajkhorshid

  88. Active participation of membrane lipids in inhibition of multidrug transporter P-glycoprotein

    Article • Chemical Science, January 2021, Royal Society of Chemistry

    Emad Tajkhorshid

  89. Calmodulin complexes with brain and muscle creatine kinase peptides

    Article • Current Research in Structural Biology, January 2021, Elsevier

    Emad Tajkhorshid

  90. Rationalizing the generation of broad spectrum antibiotics with the addition of a positive charge

    Article • Chemical Science, January 2021, Royal Society of Chemistry

    Emad Tajkhorshid

  91. Confronting pitfalls of AI-augmented molecular dynamics using statistical physics

    Article • The Journal of Chemical Physics, December 2020, American Institute of Physics

    Emad Tajkhorshid

  92. Conformational changes in the nucleotide‐binding domains of P‐glycoprotein induced by ATP hydrolysis

    Article • FEBS Letters, December 2020, Wiley

    Emad Tajkhorshid

  93. Hydrogen-deuterium exchange mass spectrometry captures distinct dynamics upon substrate and inhibitor binding to a transporter

    Article • Nature Communications, December 2020, Springer Science + Business Media

    Emad Tajkhorshid

  94. Active Participation of Membrane Lipids in Inhibition of Multidrug Transporter P-Glycoprotein

    Article • November 2020, openRxiv

    Emad Tajkhorshid

  95. An Allosteric Binding Site on Sortilin Regulates the Trafficking of VLDL, PCSK9, and LDLR in Hepatocytes

    Article • Biochemistry, November 2020, American Chemical Society (ACS)

    Emad Tajkhorshid

  96. Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison

    Article • The Journal of Chemical Physics, October 2020, American Institute of Physics

    Emad Tajkhorshid

  97. Binding Mode of SARS-CoV2 Fusion Peptide to Human Cellular Membrane

    Article • October 2020, openRxiv

    Emad Tajkhorshid

  98. The structures of secretory and dimeric immunoglobulin A

    Article • eLife, October 2020, eLife

    Emad Tajkhorshid

  99. How to build a water-splitting machine: structural insights into photosystem II assembly

    Article • September 2020, Cold Spring Harbor Laboratory Press

    Dr Benjamin D Engel, Emad Tajkhorshid

  100. Structural basis for the reaction cycle of DASS dicarboxylate transporters

    Article • eLife, September 2020, eLife

    Emad Tajkhorshid

  101. Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD

    Article • Journal of Chemical Information and Modeling, August 2020, American Chemical Society (ACS)

    Emad Tajkhorshid

  102. Scalable molecular dynamics on CPU and GPU architectures with NAMD

    Article • The Journal of Chemical Physics, July 2020, American Institute of Physics

    Emad Tajkhorshid

  103. Aquaporin-7: A Dynamic Aquaglyceroporin With Greater Water and Glycerol Permeability Than Its Bacterial Homolog GlpF

    Article • Frontiers in Physiology, June 2020, Frontiers

    Emad Tajkhorshid

  104. Confronting pitfalls of AI-augmented molecular dynamics using statistical physics

    Article • June 2020, openRxiv

    Emad Tajkhorshid

  105. A CLC-ec1 mutant reveals global conformational change and suggests a unifying mechanism for the CLC Cl–/H+ transport cycle

    Article • eLife, April 2020, eLife

    Emad Tajkhorshid

  106. Computational Recipe for Designing Antibodies against the Ebola Virus

    Article • April 2020, openRxiv

    Emad Tajkhorshid

  107. Molecular Insights into the Loading and Dynamics of Doxorubicin on PEGylated Graphene Oxide Nanocarriers

    Article • ACS Applied Bio Materials, February 2020, American Chemical Society (ACS)

    Emad Tajkhorshid

  108. Menthol Binding to the Human α4β2 Nicotinic Acetylcholine Receptor Facilitated by Its Strong Partitioning in the Membrane

    Article • The Journal of Physical Chemistry B, February 2020, American Chemical Society (ACS)

    Emad Tajkhorshid

  109. An Activity‐Based Sensing Approach for the Detection of Cyclooxygenase‐2 in Live Cells

    Article • Angewandte Chemie, February 2020, Wiley

    Emad Tajkhorshid

  110. An Activity‐Based Sensing Approach for the Detection of Cyclooxygenase‐2 in Live Cells

    Article • Angewandte Chemie, January 2020, Wiley

    Emad Tajkhorshid

  111. Cryo-EM structures of a lipid-sensitive pentameric ligand-gated ion channel embedded in a phosphatidylcholine-only bilayer

    Article • Proceedings of the National Academy of Sciences, January 2020, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  112. Twisting and tilting of a mechanosensitive molecular probe detects order in membranes

    Article • Chemical Science, January 2020, Royal Society of Chemistry

    Emad Tajkhorshid

  113. Locking Two Rigid-body Bundles in an Outward-Facing Conformation: The Ion-coupling Mechanism in a LeuT-fold Transporter

    Article • Scientific Reports, December 2019, Springer Science + Business Media

    Emad Tajkhorshid

  114. Structural characterization of an intermediate reveals a unified mechanism for the CLC Cl − /H + transport cycle

    Article • November 2019, openRxiv

    Emad Tajkhorshid

  115. Microscopic Characterization of GRP1 PH Domain Interaction with Anionic Membranes

    Article • Journal of Computational Chemistry, November 2019, Wiley

    Emad Tajkhorshid

  116. Integrating hydrogen–deuterium exchange mass spectrometry with molecular dynamics simulations to probe lipid-modulated conformational changes in membrane proteins

    Article • Nature Protocols, October 2019, Springer Science + Business Media

    Emad Tajkhorshid

  117. Mechanism of gating and partial agonist action in the glycine receptor

    Article • September 2019, Cold Spring Harbor Laboratory Press

    Dr. Timo Greiner, Emad Tajkhorshid

  118. Multivalent Polymer–Peptide Conjugates: A General Platform for Inhibiting Amyloid Beta Peptide Aggregation

    Article • ACS Macro Letters, September 2019, American Chemical Society (ACS)

    Emad Tajkhorshid

  119. A Chalcogen‐Bonding Cascade Switch for Planarizable Push–Pull Probes

    Article • Angewandte Chemie, September 2019, Wiley

    Emad Tajkhorshid

  120. A Chalcogen‐Bonding Cascade Switch for Planarizable Push–Pull Probes

    Article • Angewandte Chemie, September 2019, Wiley

    Emad Tajkhorshid

  121. A network of phosphatidylinositol 4,5-bisphosphate binding sites regulates gating of the Ca 2+ -activated Cl − channel ANO1 (TMEM16A)

    Article • Proceedings of the National Academy of Sciences, September 2019, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  122. Polymer−Peptide Conjugates Convert Amyloid into Protein Nanobundles through Fragmentation and Lateral Association

    Article • ACS Applied Nano Materials, September 2019, American Chemical Society (ACS)

    Emad Tajkhorshid

  123. A Network of Phosphatidylinositol 4,5-bisphosphate Binding Sites Regulate Gating of the Ca 2+ -activated Cl − Channel ANO1 (TMEM16A)

    Article • May 2019, openRxiv

    Emad Tajkhorshid

  124. Pro-Nifuroxazide Self-Assembly Leads to Triggerable Nanomedicine for Anti-cancer Therapy

    Article • ACS Applied Materials & Interfaces, April 2019, American Chemical Society (ACS)

    Emad Tajkhorshid

  125. Characterization of Lipid–Protein Interactions and Lipid-Mediated Modulation of Membrane Protein Function through Molecular Simulation

    Article • Chemical Reviews, April 2019, American Chemical Society (ACS)

    Emad Tajkhorshid

  126. Allosteric Interactions in Human Cytochrome P450 CYP3A4: The Role of Phenylalanine 213

    Article • Biochemistry, February 2019, American Chemical Society (ACS)

    Emad Tajkhorshid

  127. Tuning symmetry breaking charge separation in perylene bichromophores by conformational control

    Article • Chemical Science, January 2019, Royal Society of Chemistry

    Emad Tajkhorshid

  128. Main-chain mutagenesis reveals intrahelical coupling in an ion channel voltage-sensor

    Article • Nature Communications, November 2018, Springer Science + Business Media

    Emad Tajkhorshid

  129. Calcium-Induced Lipid Nanocluster Structures: Sculpturing of the Plasma Membrane

    Article • Biochemistry, November 2018, American Chemical Society (ACS)

    Emad Tajkhorshid

  130. Constructing atomic structural models into cryo-EM densities using molecular dynamics – Pros and cons

    Article • Journal of Structural Biology, November 2018, Elsevier

    Emad Tajkhorshid

  131. Direct protein-lipid interactions shape the conformational landscape of secondary transporters

    Article • Nature Communications, October 2018, Springer Science + Business Media

    Emad Tajkhorshid

  132. Endocannabinoid Virodhamine Is an Endogenous Inhibitor of Human Cardiovascular CYP2J2 Epoxygenase

    Article • Biochemistry, October 2018, American Chemical Society (ACS)

    Emad Tajkhorshid

  133. Selective Permeability of Carboxysome Shell Pores to Anionic Molecules

    Article • The Journal of Physical Chemistry B, September 2018, American Chemical Society (ACS)

    Emad Tajkhorshid

  134. Reconstitution and substrate specificity for isopentenyl pyrophosphate of the antiviral radical SAM enzyme viperin

    Article • Journal of Biological Chemistry, September 2018, Elsevier

    Emad Tajkhorshid

  135. Electrostatic lock in the transport cycle of the multidrug resistance transporter EmrE

    Article • Proceedings of the National Academy of Sciences, July 2018, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  136. Selective Permeability of Carboxysome Shell Pores to Anionic Molecules

    Article • July 2018, openRxiv

    Emad Tajkhorshid

  137. Molecular insight into drug exporters within the cellular membrane

    Article • Pharmacological Research, July 2018, Elsevier

    Emad Tajkhorshid

  138. Cytochrome aa3 Oxygen Reductase Utilizes the Tunnel Observed in the Crystal Structures To Deliver O2 for Catalysis

    Article • Biochemistry, March 2018, American Chemical Society (ACS)

    Emad Tajkhorshid

  139. A “cross-stitched” peptide with improved helicity and proteolytic stability

    Article • Organic & Biomolecular Chemistry, January 2018, Royal Society of Chemistry

    Professor Geoffrey L Greene, Emad Tajkhorshid

  140. Probing key elements of teixobactin–lipid II interactions in membranes

    Article • Chemical Science, January 2018, Royal Society of Chemistry

    Emad Tajkhorshid

  141. Drug–Drug Interactions between Atorvastatin and Dronedarone Mediated by Monomeric CYP3A4

    Article • Biochemistry, December 2017, American Chemical Society (ACS)

    Emad Tajkhorshid

  142. Arachidonic Acid Metabolism by Human Cardiovascular CYP2J2 Is Modulated by Doxorubicin

    Article • Biochemistry, December 2017, American Chemical Society (ACS)

    Emad Tajkhorshid

  143. Chasing the open-state structure of pentameric ligand-gated ion channels

    Article • Journal of General Physiology, October 2017, Rockefeller University Press

    Emad Tajkhorshid

  144. Lipids and ions traverse the membrane by the same physical pathway in the nhTMEM16 scramblase

    Article • eLife, September 2017, eLife

    Emad Tajkhorshid

  145. Lipid specificity of the membrane binding domain of coagulation factor X

    Article • Journal of Thrombosis and Haemostasis, September 2017, Wiley

    Emad Tajkhorshid

  146. Tribute to Klaus Schulten

    Article • The Journal of Physical Chemistry B, April 2017, American Chemical Society (ACS)

    Emad Tajkhorshid

  147. Mass spectrometry-based cross-linking study shows that the Psb28 protein binds to cytochrome b 559 in Photosystem II

    Article • Proceedings of the National Academy of Sciences, February 2017, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  148. Estrogen receptor alpha somatic mutations Y537S and D538G confer breast cancer endocrine resistance by stabilizing the activating function-2 binding conformation

    Article • eLife, February 2016, eLife

    Professor Geoffrey L Greene, Emad Tajkhorshid

  149. Revealing an outward-facing open conformational state in a CLC Cl–/H+ exchange transporter

    Article • eLife, January 2016, eLife

    Emad Tajkhorshid

  150. Incorporation of charged residues in the CYP2J2 F-G loop disrupts CYP2J2–lipid bilayer interactions

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, October 2015, Elsevier

    Emad Tajkhorshid

  151. Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter

    Article • Nature Communications, September 2015, Springer Science + Business Media

    Emad Tajkhorshid

  152. Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail

    Article • Biochemistry, September 2015, American Chemical Society (ACS)

    Emad Tajkhorshid

  153. Structural Determinants of the Mechanical Stability of α-Catenin

    Article • Journal of Biological Chemistry, June 2015, American Society for Biochemistry & Molecular Biology (ASBMB)

    Professor Cara J. Gottardi, Emad Tajkhorshid

  154. Capturing Spontaneous Membrane Insertion of the Influenza Virus Hemagglutinin Fusion Peptide

    Article • The Journal of Physical Chemistry B, June 2015, American Chemical Society (ACS)

    Emad Tajkhorshid

  155. Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution

    Article • The Journal of Membrane Biology, May 2015, Springer Science + Business Media

    Emad Tajkhorshid

  156. Computational characterization of structural dynamics underlying function in active membrane transporters

    Article • Current Opinion in Structural Biology, April 2015, Elsevier

    Emad Tajkhorshid

  157. Mechanism of Drug–Drug Interactions Mediated by Human Cytochrome P450 CYP3A4 Monomer

    Article • Biochemistry, March 2015, American Chemical Society (ACS)

    Emad Tajkhorshid

  158. Conformational heterogeneity of α -synuclein in membrane

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, December 2014, Elsevier

    Emad Tajkhorshid

  159. Changing the peptide specificity of a human T-cell receptor by directed evolution

    Article • Nature Communications, November 2014, Springer Science + Business Media

    Emad Tajkhorshid

  160. A Highly Tilted Membrane Configuration for the Prefusion State of Synaptobrevin

    Article • Biophysical Journal, November 2014, Elsevier

    Emad Tajkhorshid

  161. Membrane-Induced Structural Rearrangement and Identification of a Novel Membrane Anchor in Talin F2F3

    Article • Biophysical Journal, November 2014, Elsevier

    Emad Tajkhorshid

  162. Atomistic Models of General Anesthetics for Use in in Silico Biological Studies

    Article • The Journal of Physical Chemistry B, October 2014, American Chemical Society (ACS)

    Emad Tajkhorshid

  163. Conformational coupling between the active site and residues within the K C -channel of the Vibrio cholerae cbb 3 -type (C-family) oxygen reductase

    Article • Proceedings of the National Academy of Sciences, October 2014, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  164. Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins

    Article • Applied Physics Letters, August 2014, American Institute of Physics

    Emad Tajkhorshid

  165. Computational Recipe for Efficient Description of Large-Scale Conformational Changes in Biomolecular Systems

    Article • Journal of Chemical Theory and Computation, June 2014, American Chemical Society (ACS)

    Emad Tajkhorshid

  166. Conformational dynamics of the nucleotide binding domains and the power stroke of a heterodimeric ABC transporter

    Article • eLife, May 2014, eLife

    Smriti Mishra, Dr Po-Chao Wen, Professor Emad Tajkhorshid, Emad Tajkhorshid

  167. Conformational Dynamics at the Inner Gate of KcsA during Activation

    Article • Biochemistry, March 2014, American Chemical Society (ACS)

    Dr Po-Chao Wen, Emad Tajkhorshid

  168. Partitioning of Amino Acids into a Model Membrane: Capturing the Interface

    Article • The Journal of Physical Chemistry B, January 2014, American Chemical Society (ACS)

    Emad Tajkhorshid

  169. A Microscopic View of the Mechanisms of Active Transport Across the Cellular Membrane

    Article • January 2014, Elsevier

    Emad Tajkhorshid

  170. Probing Drug-Binding Pathways in P-Glycoprotein with Ensemble Docking

    Article • Biophysical Journal, January 2014, Elsevier

    Emad Tajkhorshid

  171. Water access points and hydration pathways in CLC H + /Cl − transporters

    Article • Proceedings of the National Academy of Sciences, December 2013, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  172. A Microscopic View of Phospholipid Insertion into Biological Membranes

    Article • The Journal of Physical Chemistry B, December 2013, American Chemical Society (ACS)

    Emad Tajkhorshid

  173. Mechanistic picture for conformational transition of a membrane transporter at atomic resolution

    Article • Proceedings of the National Academy of Sciences, November 2013, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  174. Rapid parameterization of small molecules using the force field toolkit

    Article • Journal of Computational Chemistry, September 2013, Wiley

    Emad Tajkhorshid

  175. Characterizing a Histidine Switch Controlling pH-Dependent Conformational Changes of the Influenza Virus Hemagglutinin

    Article • Biophysical Journal, August 2013, Elsevier

    Emad Tajkhorshid

  176. Movement of NH3through the human urea transporter B: a new gas channel

    Article • AJP Renal Physiology, June 2013, American Physiological Society

    Emad Tajkhorshid

  177. Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions

    Article • Science, June 2013, American Association for the Advancement of Science

    Emad Tajkhorshid

  178. Characterizing the Membrane-Bound State of Cytochrome P450 3A4: Structure, Depth of Insertion, and Orientation

    Article • Journal of the American Chemical Society, May 2013, American Chemical Society (ACS)

    Emad Tajkhorshid

  179. Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations

    Article • The Journal of Physical Chemistry Letters, May 2013, American Chemical Society (ACS)

    Emad Tajkhorshid

  180. On the Origin of Large Flexibility of P-glycoprotein in the Inward-facing State

    Article • Journal of Biological Chemistry, May 2013, American Society for Biochemistry & Molecular Biology (ASBMB)

    Dr Po-Chao Wen, Emad Tajkhorshid

  181. Transient formation of water-conducting states in membrane transporters

    Article • Proceedings of the National Academy of Sciences, April 2013, Proceedings of the National Academy of Sciences

    Dr Po-Chao Wen, Emad Tajkhorshid

  182. Visualizing Functional Motions of Membrane Transporters with Molecular Dynamics Simulations

    Article • Biochemistry, January 2013, American Chemical Society (ACS)

    Dr Po-Chao Wen, Emad Tajkhorshid

  183. Structure and permeation mechanism of a mammalian urea transporter

    Article • Proceedings of the National Academy of Sciences, June 2012, Proceedings of the National Academy of Sciences

    Yu Cao, Emad Tajkhorshid

  184. Tissue Factor/Factor VIIa Complex: Role of the Membrane Surface

    Article • Thrombosis Research, May 2012, Elsevier

    Emad Tajkhorshid

  185. Accelerating Membrane Insertion of Peripheral Proteins with a Novel Membrane Mimetic Model

    Article • Biophysical Journal, May 2012, Elsevier

    Emad Tajkhorshid

  186. Structural basis for iron piracy by pathogenic Neisseria

    Article • Nature, February 2012, Springer Science + Business Media

    Professor Andrew R Gorringe, Emad Tajkhorshid

  187. A gate-free pathway for substrate release from the inward-facing state of the Na+-galactose transporter

    Article • Biochimica et Biophysica Acta (BBA) - Biomembranes, February 2012, Elsevier

    Emad Tajkhorshid

  188. Molecular Basis for the Activation of a Catalytic Asparagine Residue in a Self-Cleaving Bacterial Autotransporter

    Article • Journal of Molecular Biology, January 2012, Elsevier

    Emad Tajkhorshid

  189. Molecular Dynamics Investigation of the ω-Current in the Kv1.2 Voltage Sensor Domains

    Article • Biophysical Journal, January 2012, Elsevier

    Emad Tajkhorshid

  190. Tracing Cytoplasmic Ca2+ Ion and Water Access Points in the Ca2+-ATPase

    Article • Biophysical Journal, January 2012, Elsevier

    Emad Tajkhorshid

  191. Conformational Coupling of the Nucleotide-Binding and the Transmembrane Domains in ABC Transporters

    Article • Biophysical Journal, August 2011, Elsevier

    Dr Po-Chao Wen, Emad Tajkhorshid

  192. Molecular Determinants of Phospholipid Synergy in Blood Clotting

    Article • Journal of Biological Chemistry, July 2011, Elsevier

    Emad Tajkhorshid

  193. Nanoscale studies of protein‐membrane interactions in blood clotting

    Article • Journal of Thrombosis and Haemostasis, July 2011, Elsevier

    Emad Tajkhorshid

  194. Capturing Spontaneous Partitioning of Peripheral Proteins Using a Biphasic Membrane-Mimetic Model

    Article • The Journal of Physical Chemistry B, May 2011, American Chemical Society (ACS)

    Emad Tajkhorshid

  195. Atomic View of Calcium-Induced Clustering of Phosphatidylserine in Mixed Lipid Bilayers

    Article • Biochemistry, March 2011, American Chemical Society (ACS)

    Emad Tajkhorshid

  196. Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation

    Article • Journal of Computational and Theoretical Nanoscience, December 2010, American Scientific Publishers

    Dr Po-Chao Wen, Emad Tajkhorshid

  197. The Binding Interface of Cytochrome c and Cytochrome c1 in the bc1 Complex: Rationalizing the Role of Key Residues

    Article • Biophysical Journal, October 2010, Elsevier

    Emad Tajkhorshid

  198. Identification of the Third Na+ Site and the Sequence of Extracellular Binding Events in the Glutamate Transporter

    Article • Biophysical Journal, September 2010, Elsevier

    Emad Tajkhorshid

  199. Modeling and Dynamics of the Inward-Facing State of a Na+/Cl− Dependent Neurotransmitter Transporter Homologue

    Article • PLoS Computational Biology, August 2010, PLOS

    Emad Tajkhorshid

  200. Exploring Transmembrane Diffusion Pathways With Molecular Dynamics

    Article • Physiology, June 2010, American Physiological Society

    Emad Tajkhorshid

  201. Calculation of the Gating Charge for the Kv1.2 Voltage-Activated Potassium Channel

    Article • Biophysical Journal, May 2010, Elsevier

    Emad Tajkhorshid

  202. Dynamical view of membrane binding and complex formation of human factor VIIa and tissue factor

    Article • Journal of Thrombosis and Haemostasis, May 2010, Elsevier

    Emad Tajkhorshid

  203. Protein-Phospholipid interactions in blood clotting

    Article • Thrombosis Research, April 2010, Elsevier

    Emad Tajkhorshid

  204. Interaction of the α2A domain of integrin with small collagen fragments

    Article • Protein & Cell, April 2010, Springer Science + Business Media

    Emad Tajkhorshid

  205. Tyrosine phosphorylation by Src within the cavity of the adenine nucleotide translocase 1 regulates ADP/ATP exchange in mitochondria

    Article • AJP Cell Physiology, March 2010, American Physiological Society

    Emad Tajkhorshid

  206. Functional Interplay between Acetylation and Methylation of the RelA Subunit of NF-κB

    Article • Molecular and Cellular Biology, February 2010, ASM Journals

    Emad Tajkhorshid

  207. Simulation of Spontaneous Substrate Binding Revealing the Binding Pathway and Mechanism and Initial Conformational Response of GlpT

    Article • Biochemistry, January 2010, American Chemical Society (ACS)

    Emad Tajkhorshid

  208. Ion-Releasing State of a Secondary Membrane Transporter

    Article • Biophysical Journal, December 2009, Elsevier

    Emad Tajkhorshid

  209. Residue-Specific Information about the Dynamics of Antimicrobial Peptides from 1H−15N and 2H Solid-State NMR Spectroscopy

    Article • Journal of the American Chemical Society, November 2009, American Chemical Society (ACS)

    Emad Tajkhorshid

  210. Interplay of mechanical and binding properties of Fibronectin type I

    Article • Theoretical Chemistry Accounts, November 2009, Springer Science + Business Media

    Emad Tajkhorshid

  211. Coupling of Calcium and Substrate Binding through Loop Alignment in the Outer-Membrane Transporter BtuB

    Article • Journal of Molecular Biology, November 2009, Elsevier

    Emad Tajkhorshid

  212. Nitric oxide conduction by the brain aquaporin AQP4

    Article • Proteins Structure Function and Bioinformatics, October 2009, Wiley

    Emad Tajkhorshid

  213. Structural Basis of Substrate Selectivity in the Glycerol-3-Phosphate: Phosphate Antiporter GlpT

    Article • Biophysical Journal, September 2009, Elsevier

    Emad Tajkhorshid

  214. Protein–membrane interactions: blood clotting on nanoscale bilayers

    Article • Journal of Thrombosis and Haemostasis, July 2009, Elsevier

    Emad Tajkhorshid

  215. Incorporation of Antimicrobial Peptides into Membranes: A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC Bicelles

    Article • The Journal of Physical Chemistry B, April 2009, American Chemical Society (ACS)

    Emad Tajkhorshid

  216. Molecular dynamics simulations of membrane channels and transporters

    Article • Current Opinion in Structural Biology, April 2009, Elsevier

    Dr Po-Chao Wen, Emad Tajkhorshid

  217. Structural and Functional Analysis of SoPIP2;1 Mutants Adds Insight into Plant Aquaporin Gating

    Article • Journal of Molecular Biology, April 2009, Elsevier

    Emad Tajkhorshid

  218. Photochemical Reaction Dynamics of the Primary Event of Vision Studied by Means of a Hybrid Molecular Simulation

    Article • Biophysical Journal, January 2009, Elsevier

    Emad Tajkhorshid

  219. Dimer Opening of the Nucleotide Binding Domains of ABC Transporters after ATP Hydrolysis

    Article • Biophysical Journal, December 2008, Elsevier

    Dr Po-Chao Wen, Emad Tajkhorshid

  220. Potential Cation and H+ Binding Sites in Acid Sensing Ion Channel-1

    Article • Biophysical Journal, December 2008, Elsevier

    Emad Tajkhorshid

  221. Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study

    Article • Biophysical Journal, November 2008, Elsevier

    Emad Tajkhorshid

  222. Dynamics of the Extracellular Gate and Ion-Substrate Coupling in the Glutamate Transporter

    Article • Biophysical Journal, September 2008, Elsevier

    Emad Tajkhorshid

  223. Electrostatic funneling of substrate in mitochondrial inner membrane carriers

    Article • Proceedings of the National Academy of Sciences, July 2008, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  224. Indirect Role of Ca2+ in the Assembly of Extracellular Matrix Proteins

    Article • Biophysical Journal, July 2008, Elsevier

    Emad Tajkhorshid

  225. Mechanism of Signal Propagation upon Retinal Isomerization: Insights from Molecular Dynamics Simulations of Rhodopsin Restrained by Normal Modes

    Article • Biophysical Journal, July 2008, Elsevier

    Emad Tajkhorshid

  226. Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening

    Article • Journal of the American Chemical Society, March 2008, American Chemical Society (ACS)

    Emad Tajkhorshid

  227. Substrate Binding and Formation of an Occluded State in the Leucine Transporter

    Article • Biophysical Journal, March 2008, Elsevier

    Emad Tajkhorshid

  228. Diffusion of Glycerol through Escherichia coli Aquaglyceroporin GlpF

    Article • Biophysical Journal, February 2008, Elsevier

    Emad Tajkhorshid

  229. Blood clotting reactions on nanoscale phospholipid bilayers

    Article • Thrombosis Research, January 2008, Elsevier

    Emad Tajkhorshid

  230. Chapter 12 Gas Conduction of Lipid Bilayers and Membrane Channels

    Article • January 2008, Elsevier

    Emad Tajkhorshid

  231. Distinct Structural and Adhesive Roles of Ca2+ in Membrane Binding of Blood Coagulation Factors

    Article • Structure, January 2008, Elsevier

    Emad Tajkhorshid

  232. Mechanics of Force Propagation in TonB-Dependent Outer Membrane Transport

    Article • Biophysical Journal, July 2007, Elsevier

    Emad Tajkhorshid

  233. Sugar Transport across Lactose Permease Probed by Steered Molecular Dynamics

    Article • Biophysical Journal, July 2007, Elsevier

    Emad Tajkhorshid

  234. Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics

    Article • Journal of Structural Biology, March 2007, Elsevier

    Emad Tajkhorshid

  235. Sugar Binding and Protein Conformational Changes in Lactose Permease

    Article • Biophysical Journal, December 2006, Elsevier

    Emad Tajkhorshid

  236. Dynamics of K+ Ion Conduction through Kv1.2

    Article • Biophysical Journal, September 2006, Elsevier

    Emad Tajkhorshid

  237. Mechanism of Gating and Ion Conductivity of a Possible Tetrameric Pore in Aquaporin-1

    Article • Structure, September 2006, Elsevier

    Emad Tajkhorshid

  238. Color Tuning in Rhodopsins:  The Mechanism for the Spectral Shift between Bacteriorhodopsin and Sensory Rhodopsin II

    Article • Journal of the American Chemical Society, August 2006, American Chemical Society (ACS)

    Emad Tajkhorshid

  239. Structural mechanism of plant aquaporin gating

    Article • Nature, December 2005, Springer Science + Business Media

    Emad Tajkhorshid

  240. Scalable molecular dynamics with NAMD

    Article • Journal of Computational Chemistry, October 2005, Wiley

    Emad Tajkhorshid

  241. Molecular dynamics simulations of proteins in lipid bilayers

    Article • Current Opinion in Structural Biology, August 2005, Elsevier

    Emad Tajkhorshid

  242. What Makes an Aquaporin a Glycerol Channel? A Comparative Study of AqpZ and GlpF

    Article • Structure, August 2005, Elsevier

    Emad Tajkhorshid

  243. Toward Theoretical Analyis of Long-Range Proton Transfer Kinetics in Biomolecular Pumps

    Article • The Journal of Physical Chemistry A, July 2005, American Chemical Society (ACS)

    Emad Tajkhorshid

  244. Role of Water in Transient Cytochrome c2 Docking

    Article • The Journal of Physical Chemistry B, December 2004, American Chemical Society (ACS)

    Emad Tajkhorshid

  245. Collective Diffusion Model for Water Permeation through Microscopic Channels

    Article • Physical Review Letters, November 2004, American Physical Society (APS)

    Emad Tajkhorshid

  246. Determination of structural and functional overlap/divergence of five proto-type galectins by analysis of the growth-regulatory interaction with ganglioside GM1in silicoandin vitroon human neuroblastoma cells

    Article • International Journal of Cancer, November 2004, Wiley

    Emad Tajkhorshid

  247. Role of Hydrogen-Bond Network in Energy Storage of Bacteriorhodopsin's Light-Driven Proton Pump Revealed by ab Initio Normal-Mode Analysis

    Article • Journal of the American Chemical Society, August 2004, American Chemical Society (ACS)

    Emad Tajkhorshid

  248. Complementarities and Convergence of Results in Bacteriorhodopsin Trimer Simulations

    Article • Biophysical Journal, August 2004, Elsevier

    Emad Tajkhorshid

  249. Classical force field parameters for the heme prosthetic group of cytochrome c

    Article • Journal of Computational Chemistry, July 2004, Wiley

    Emad Tajkhorshid

  250. The mechanism of proton exclusion in aquaporin channels

    Article • Proteins Structure Function and Bioinformatics, March 2004, Wiley

    Emad Tajkhorshid

  251. Molecular Basis of Proton Blockage in Aquaporins

    Article • Structure, March 2004, Elsevier

    Emad Tajkhorshid

  252. Unique Conformer Selection of Human Growth-Regulatory Lectin Galectin-1 for Ganglioside GM1 versus Bacterial Toxins,

    Article • Biochemistry, November 2003, American Chemical Society (ACS)

    Emad Tajkhorshid

  253. Free energy calculation from steered molecular dynamics simulations using Jarzynski’s equality

    Article • The Journal of Chemical Physics, August 2003, American Institute of Physics

    Emad Tajkhorshid

  254. Developing an energy landscape for the novel function of a (β/α) 8 barrel: Ammonia conduction through HisF

    Article • Proceedings of the National Academy of Sciences, June 2003, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  255. Large Scale Simulation of Protein Mechanics and Function

    Article • January 2003, Elsevier

    Emad Tajkhorshid

  256. Energetics of glycerol conduction through aquaglyceroporin GlpF

    Article • Proceedings of the National Academy of Sciences, May 2002, Proceedings of the National Academy of Sciences

    Emad Tajkhorshid

  257. Control of the Selectivity of the Aquaporin Water Channel Family by Global Orientational Tuning

    Article • Science, April 2002, American Association for the Advancement of Science

    Emad Tajkhorshid

  258. Performance of the AM1, PM3, and SCC-DFTB methods in the study of conjugated Schiff base molecules

    Article • Chemical Physics, March 2002, Elsevier

    Emad Tajkhorshid

  259. The Mechanism of Glycerol Conduction in Aquaglyceroporins

    Article • Structure, November 2001, Elsevier

    Emad Tajkhorshid

  260. Structural Determinants of Spectral Tuning in Retinal ProteinsBacteriorhodopsin vs Sensory Rhodopsin II #

    Article • The Journal of Physical Chemistry B, October 2001, American Chemical Society (ACS)

    Dr Antoine Royant, Emad Tajkhorshid

  261. Molecular dynamics study of aquaporin‐1 water channel in a lipid bilayer

    Article • FEBS Letters, August 2001, Wiley

    Emad Tajkhorshid

  262. Barrier to Rotation around the Csp2-Csp2 Bond of the Ketoaldehyde Enol Ether MeC(O)CHCH−OEt As Determined by 13C NMR and ab Initio Calculations

    Article • The Journal of Physical Chemistry A, August 2001, American Chemical Society (ACS)

    Emad Tajkhorshid

  263. A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine

    Article • Chemical Physics, April 2001, Elsevier

    Emad Tajkhorshid

  264. The dielectric effect of the environment on the pKa of the retinal Schiff base and on the stabilization of the ion pair in bacteriorhodopsin

    Article • Journal of Molecular Structure THEOCHEM, April 2000, Elsevier

    Emad Tajkhorshid

  265. 10.7554/eLife.02740.027

    Article • January 2000, Unmaintained records

    Emad Tajkhorshid

  266. Clonidine-induced rhythmic activity in rabbit anococcygeus muscle

    Article • General Pharmacology The Vascular System, April 1996, Elsevier

    Emad Tajkhorshid

  267. Different calcium dependencies of contractile activity of prostatic and epididymal portions of rat vas deferens

    Article • General Pharmacology The Vascular System, May 1995, Elsevier

    Emad Tajkhorshid

  268. The role of calcium and alpha-adrenoceptors in contractile response of chick expansor secundariorum muscle to field stimulation

    Article • General Pharmacology The Vascular System, March 1994, Elsevier

    Emad Tajkhorshid

  269. Methoxamine-induced rhythmic activity in rabbit anococcygeus muscle

    Article • General Pharmacology The Vascular System, July 1993, Elsevier

    Emad Tajkhorshid