All Stories

  1. Self-assembly of Phenylalanine Oligopeptides: Development, Transferability and Performance of Bottom-up Coarse-grained Potentials

    Article • November 2025, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  2. Self-assembly of Phenylalanine Oligopeptides: Development, Transferability and Performance of Bottom-up Coarse-grained Potentials

    Article • September 2025, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  3. Applications of Enhanced Sampling Methods to Biomolecular Self-Assembly: A Review

    Article • Journal of Physics Condensed Matter, June 2025, Institute of Physics Publishing

    Dr Meenakshi Dutt

  4. COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS OF SOFT MATTER RELEVANT TO THE PHARMACEUTICAL INDUSTRY

    Article • April 2025, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  5. Martini 3 coarse-grained model of enzymes: Framework with validation by all-atom simulations and x-ray diffraction measurements

    Article • The Journal of Chemical Physics, April 2025, American Institute of Physics

    Dr Meenakshi Dutt, Pofessor Sanjeeva Murthy

  6. A perspective on coarse-graining methodologies for biomolecules: resolving self-assembly over extended spatiotemporal scales

    Article • Frontiers in Soft Matter, April 2024, Frontiers

    Dr Meenakshi Dutt

  7. Multiscale, Multiresolution Coarse-Grained Model via a Hybrid Approach: Solvation, Structure, and Self-Assembly of Aromatic Tripeptides

    Article • Journal of Chemical Theory and Computation, November 2023, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  8. Pipelines for Automating Compliance-based Elimination and Extension (PACE2): A Systematic Framework for High-throughput Biomolecular Materials Simulation Workflows

    Article • Journal of Physics Materials, November 2023, Institute of Physics Publishing

    Dr Meenakshi Dutt

  9. A coarse-grained Molecular Dynamics study of phase behavior in Co-assembled lipomimetic oligopeptides

    Article • Journal of Molecular Graphics and Modelling, September 2023, Elsevier

    Dr Meenakshi Dutt

  10. A Hybrid Approach for Coarse-graining Helical Peptoids: Solvation, Secondary Structure and Assembly

    Article • The Journal of Chemical Physics, February 2023, American Institute of Physics

    Dr Meenakshi Dutt

  11. Self-Organization of Mobile, Polyelectrolytic Dendrons on Stable, Amphiphile-Based Spherical Surfaces

    Article • Langmuir, February 2023, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  12. Symmetry-specific orientational order parameters for complex structures

    Article • The Journal of Chemical Physics, February 2022, American Institute of Physics

    Dr Meenakshi Dutt

  13. Controlling morphology in hybrid isotropic/patchy particle assemblies

    Article • The Journal of Chemical Physics, January 2022, American Institute of Physics

    Dr Meenakshi Dutt

  14. A hybrid coarse-grained model for structure, solvation and assembly of lipid-like peptides

    Article • Physical Chemistry Chemical Physics, January 2022, Royal Society of Chemistry

    Dr Meenakshi Dutt

  15. Dendronized vesicles: formation, self-organization of dendron-grafted amphiphiles and stability

    Article • Nanoscale Advances, January 2021, Royal Society of Chemistry

    Dr Meenakshi Dutt

  16. Peptide-based Vesicles and Droplets: A Review

    Article • Journal of Physics Condensed Matter, September 2020, Institute of Physics Publishing

    Dr Meenakshi Dutt

  17. Self-Organization of Alpha Helical Proteins in Bioinspired Membranes and Vesicles

    Article • August 2020, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  18. Implementation of dynamic coupling in hybrid Molecular Dynamics-Lattice Boltzmann approach: Modeling aggregation of amphiphiles

    Article • Computer Physics Communications, March 2020, Elsevier

    Dr Meenakshi Dutt

  19. Organization and Dynamics of Water on Titania Surfaces

    Article • MRS Advances, October 2019, Cambridge University Press

    Dr Meenakshi Dutt

  20. Structure and phase transitions of two-dimensional core-softened colloidal dumbbells: A molecular dynamics study

    Article • Materials Research Express, April 2019, Institute of Physics Publishing

    Dr Meenakshi Dutt

  21. A review on phospholipid vesicles flowing through channels

    Article • MRS Communications, July 2018, Cambridge University Press

    Dr Meenakshi Dutt

  22. Designing phenylalanine-based hybrid biological materials: controlling morphology via molecular composition

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

    Dr Meenakshi Dutt

  23. Mechanisms underlying interactions between PAMAM dendron-grafted surfaces with DPPC membranes

    Article • RSC Advances, January 2018, Royal Society of Chemistry

    Dr Meenakshi Dutt

  24. A multiscale approach to study molecular and interfacial characteristics of vesicles

    Article • Molecular Systems Design & Engineering, January 2018, Royal Society of Chemistry

    Dr Meenakshi Dutt

  25. Degree of Unsaturation and Backbone Orientation of Amphiphilic Macromolecules Influence Local Lipid Properties in Large Unilamellar Vesicles

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

    Dr Meenakshi Dutt

  26. Flow-Induced Shape Reconfiguration, Phase Separation, and Rupture of Bio-Inspired Vesicles

    Article • ACS Nano, June 2017, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  27. Self-assembly of virus capsids decorated with block copolymers: a simulation study

    Article • Journal of Materials Research, December 2016, Cambridge University Press

    Dr Meenakshi Dutt

  28. Modeling Interactions between Multicomponent Vesicles and Antimicrobial Peptide-Inspired Nanoparticles

    Article • ACS Nano, July 2016, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  29. Surface Reconfiguration of Binary Lipid Vesicles via Electrostatically Induced Nanoparticle Adsorption

    Article • The Journal of Physical Chemistry, July 2016, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  30. Harnessing steric hindrance to control interfacial adsorption of patchy nanoparticles onto hairy vesicles

    Article • Colloids and Surfaces B Biointerfaces, May 2016, Elsevier

    Dr Meenakshi Dutt

  31. Self-Assembly and Critical Aggregation Concentration Measurements of ABA Triblock Copolymers with Varying B Block Types: Model Development, Prediction, and Validation

    Article • The Journal of Physical Chemistry, April 2016, American Chemical Society (ACS)

    Dr Meenakshi Dutt

  32. Molecular dynamics study of water over Pt/TiO2 Surfaces

    Article • Materials Today Proceedings, January 2016, Elsevier

    Dr Meenakshi Dutt

  33. Implicit solvent coarse-grained model of polyamidoamine dendrimers: Role of generation and pH

    Article • Journal of Computational Chemistry, December 2015, Wiley

    Dr Meenakshi Dutt

  34. Harnessing Nanoscale Confinement to Design Sterically Stable Vesicles of Specific Shapes via Self-Assembly

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

    Dr Meenakshi Dutt

  35. The design of shape-tunable hairy vesicles

    Article • Colloids and Surfaces B Biointerfaces, April 2015, Elsevier

    Dr Meenakshi Dutt

  36. Design of PAMAM-COO dendron-grafted surfaces to promote Pb(ii) ion adsorption

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr Meenakshi Dutt

  37. Interactions of Bio-Inspired Membranes with Peptides and Peptide-Mimetic Nanoparticles

    Article • January 2015, American Institute of Mathematical Sciences (AIMS)

    Dr Meenakshi Dutt

  38. Designing soft nanomaterials via the self assembly of functionalized icosahedral viral capsid nanoparticles

    Article • Journal of Materials Research, December 2014, Springer Science + Business Media

    Dr Meenakshi Dutt

  39. Computer simulations of fluid flow over catalytic surfaces for water splitting

    Article • Applied Surface Science, December 2014, Elsevier

    Dr Meenakshi Dutt

  40. Bioinspired Vesicles Encompassing Two-Tail Phospholipids: Self-Assembly and Phase Segregation via Implicit Solvent Coarse-Grained Molecular Dynamics

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

    Dr Meenakshi Dutt

  41. Phase segregation in bio-inspired multi-component vesicles encompassing double tail phospholipid species

    Article • Soft Matter, January 2014, Royal Society of Chemistry

    Dr Meenakshi Dutt

  42. Computational Design of Multi-component Bio-Inspired Bilayer Membranes

    Article • AIMS Materials Science, January 2014, American Institute of Mathematical Sciences (AIMS)

    Dr Meenakshi Dutt

  43. Computational Design of Multi-component Bio-Inspired Bilayer Membranes

    Article • January 2014, American Institute of Mathematical Sciences (AIMS)

    Dr Meenakshi Dutt

  44. Granular dynamics simulations of the effect of grain size dispersity on uniaxially compacted powder blends

    Article • Granular Matter, December 2013, Springer Science + Business Media

    Dr Meenakshi Dutt

  45. Nano-pipette directed transport of nanotube transmembrane channels and hybrid vesicles

    Article • Nanoscale, January 2013, Royal Society of Chemistry

    Dr Meenakshi Dutt, Anna C. Balazs

  46. Designing Nanostructured Hybrid Inorganic-biological Materials via the Self-assembly

    Article • MRS Proceedings, January 2013, Springer Science + Business Media

    Dr Meenakshi Dutt

  47. Design and Characterization of Nanostructured Biomaterials via the Self-assembly of Lipids

    Article • MRS Proceedings, January 2013, Springer Science + Business Media

    Dr Meenakshi Dutt

  48. Designing Tunable Bio-nanostructured Materials via Self-Assembly of Amphiphilic Lipids and Functionalized Nanotubes

    Article • MRS Proceedings, January 2012, Springer Science + Business Media

    Dr Meenakshi Dutt

  49. Interactions of End-functionalized Nanotubes with Lipid Vesicles: Spontaneous Insertion and Nanotube Self-Organization

    Article • Current Nanoscience, October 2011, Bentham Science Publishers

    Dr Steven R Little, Dr Meenakshi Dutt

  50. Modeling the Self-Assembly of Lipids and Nanotubes in Solution: Forming Vesicles and Bicelles with Transmembrane Nanotube Channels

    Article • ACS Nano, May 2011, American Chemical Society (ACS)

    Dr Steven R Little, Dr Meenakshi Dutt

  51. Forming transmembrane channels using end-functionalized nanotubes

    Article • Nanoscale, January 2011, Royal Society of Chemistry

    Dr Steven R Little, Dr Meenakshi Dutt

  52. A Particle-Substrate Numerical Model for a quasi-2D Driven Dissipative Granular Gas

    Article • January 2009, American Institute of Physics

    Dr Meenakshi Dutt

  53. Numerical Model for Ultra-fine Particles in the Absence and Presence of Gravity

    Article • January 2009, American Institute of Physics

    Dr Meenakshi Dutt

  54. The Effect of Particle Size Dispersity in Dense Granular Packings on the Void Structure and the Interparticle Contact Frictional State

    Article • January 2009, American Institute of Physics

    Dr Meenakshi Dutt

  55. Dynamically tessellating algorithm for analysis of pore size distribution in particle agglomerates

    Article • Physica A Statistical Mechanics and its Applications, May 2007, Elsevier

    Dr Meenakshi Dutt

  56. Effects of surface friction on a two-dimensional granular system: Numerical model of a granular collider experiment

    Article • Physical Review E, February 2007, American Physical Society (APS)

    Dr Meenakshi Dutt

  57. Applications of DL_POLY to modelling of mesoscopic particulate systems

    Article • Molecular Simulation, October 2006, Taylor & Francis

    Dr Meenakshi Dutt

  58. Investigation of particle packing in model pharmaceutical powders using X-ray microtomography and discrete element method

    Article • Powder Technology, September 2006, Elsevier

    Dr Meenakshi Dutt

  59. Quantitative analysis of packed and compacted granular systems by x-ray microtomography

    Article • April 2005, SPIE

    Dr Meenakshi Dutt

  60. An implementation of granular dynamics for simulating frictional elastic particles based on the DL_POLY code

    Article • Computer Physics Communications, February 2005, Elsevier

    Dr Meenakshi Dutt

  61. Effects of surface friction on a two-dimensional granular system: Cooling bound system

    Article • Physical Review E, December 2004, American Physical Society (APS)

    Dr Meenakshi Dutt

  62. Energy dissipation and clustering for a cooling granular material on a substrate

    Article • Physica D Nonlinear Phenomena, January 2003, Elsevier

    Dr Meenakshi Dutt