All Stories

  1. 3D-QSAR modelling dataset of bioflavonoids for predicting the potential modulatory effect on P-glycoprotein activity

    Article • Data in Brief, December 2016, Elsevier

    Dr. Vannajan S Lee

  2. Anatase TiO2(101) and wurtzite ZnO (001) modified polymer for visible light-photocatalytic efficiency enhancement

    Article • Integrated Ferroelectrics, August 2016, Taylor & Francis

    Dr. Vannajan S Lee

  3. Molecular conformation and UV–visible absorption spectrum of emeraldine salt polyaniline as a hydrazine sensor

    Article • Integrated Ferroelectrics, August 2016, Taylor & Francis

    Dr. Vannajan S Lee

  4. Monte carlo and molecular dynamics simulations of surface modification of DNA interacted with ultra-low-energy carbon atoms

    Article • Surface and Coatings Technology, June 2016, Elsevier

    Dr. Vannajan S Lee

  5. Inhibition and Larvicidal Activity of Phenylpropanoids from Piper sarmentosum on Acetylcholinesterase against Mosquito Vectors and Their Binding Mode of Interaction

    Article • PLoS ONE, May 2016, PLOS

    Dr. Vannajan S Lee

  6. Nucleotide-binding domain 1 modelling: A novel molecular docking approach for screening of P-glycoprotein inhibitory activity of bioflavonoids

    Article • Chemical Data Collections, May 2016, Elsevier

    Dr. Vannajan S Lee

  7. Density functional theory calculations of hydrogen dissociative adsorption on platinum-involved alloy surfaces

    Article • Surface and Coatings Technology, April 2016, Elsevier

    Dr. Vannajan S Lee

  8. Highly sensitive and selective Hg2+-chemosensor based on dithia-cyclic fluorescein for optical and visual-eye detections in aqueous buffer solution

    Article • Sensors and Actuators B Chemical, March 2016, Elsevier

    Dr. Vannajan S Lee

  9. 5-Fluorouracil Co-crystals and Their Potential Anti-cancer Activities Calculated by Molecular Docking Studies

    Article • Journal of Chemical Crystallography, February 2016, Springer Science + Business Media

    Dr. Vannajan S Lee

  10. Hyaluronidase Inhibitory Activity of Pentacylic Triterpenoids from Prismatomeris tetrandra (Roxb.) K. Schum: Isolation, Synthesis and QSAR Study

    Article • International Journal of Molecular Sciences, February 2016, MDPI AG

    Dr. Vannajan S Lee, Professor Ibrahim Ali Noorbatcha

  11. Mechanical Properties Study of Plasma Treated Epoxy-Base Post in Dual-Material Systems

    Article • Key Engineering Materials, January 2016, Trans Tech Publications

    Dr. Vannajan S Lee

  12. Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations

    Article • Chemical Engineering Science, December 2015, Elsevier

    Dr. Vannajan S Lee

  13. Microstructures, interactions and dynamics properties studies ofN-methyldiethanolamine + guanidinium triflate ionic liquid + water tertiary system at the standard temperature

    Article • Molecular Simulation, September 2015, Taylor & Francis

    Dr. Vannajan S Lee

  14. Model studies on construction of the oxabicyclic [3.3.1] core of the mulberry Diels–Alder adducts morusalbanol A and 441772-64-1

    Article • Tetrahedron Letters, September 2015, Elsevier

    Dr. Vannajan S Lee, Dr CHIN FEI CHEE

  15. DFT Study of Proton Transfer in Methyl Urocanate and Butyl Urocanate

    Article • Macromolecular Symposia, August 2015, Wiley

    Dr. Vannajan S Lee

  16. Adhesion Improvement via Surface Functionalization of Epoxy-Resin Base Post by Low Temperature Plasma

    Article • Macromolecular Symposia, August 2015, Wiley

    Dr. Vannajan S Lee

  17. A magnetically recyclable heterogeneous BINOL organocatalyst for the asymmetric aldol reaction

    Article • Applied Catalysis A General, August 2015, Elsevier

    Dr. Vannajan S Lee, Kheng Soo Tay

  18. In vivo efficacy and molecular docking of designed peptide that exhibits potent antipneumococcal activity and synergises in combination with penicillin

    Article • Scientific Reports, July 2015, Nature

    Dr. Vannajan S Lee

  19. Antimicrobial Activity of Novel Synthetic Peptides Derived from Indolicidin and Ranalexin against Streptococcus pneumoniae

    Article • PLoS ONE, June 2015, PLOS

    Dr. Vannajan S Lee

  20. Activity of Novel Synthetic Peptides against Candida albicans

    Article • Scientific Reports, May 2015, Nature

    Dr. Vannajan S Lee

  21. Inclusion complex of Alizarin Red S with β-cyclodextrin: Synthesis, spectral, electrochemical and computational studies

    Article • Journal of Molecular Structure, March 2015, Elsevier

    Dr. Vannajan S Lee

  22. Binding Mode Analysis of Zerumbone to Key Signal Proteins in the Tumor Necrosis Factor Pathway

    Article • International Journal of Molecular Sciences, January 2015, MDPI AG

    Dr. Vannajan S Lee

  23. Crystallographic and computational study of 1-(arylamino)-1,2,3-triazole-4-carbohydrazides

    Article • CrystEngComm, January 2015, Royal Society of Chemistry

    Dr. Vannajan S Lee

  24. Synthesis, characterization, and theoretical study of an acrylamide-based magnetic molecularly imprinted polymer for the recognition of sulfonamide drugs

    Article • e-Polymers, January 2015, De Gruyter

    Dr. Vannajan S Lee, Kheng Soo Tay

  25. Exploration of Residue Binding Energy of Potential Ankyrin for Dengue Virus II from MD Simulations

    Article • January 2015, Atlantis Press

    Dr. Vannajan S Lee

  26. Computational Alanine Scanning Mutagenesis: Characterizing the hotspots of ILK-Ankyrin Repeat and PINCH1 Complex

    Article • January 2015, Atlantis Press

    Dr. Vannajan S Lee

  27. Molecular Dynamics Simulation on Designed Antibodies of HIV-1 Capsid Protein (p24)

    Article • January 2015, Atlantis Press

    Dr. Vannajan S Lee

  28. Estimation of Inhibitory Effect against Tyrosinase Activity through Homology Modeling and Molecular Docking

    Article • Enzyme Research, January 2015, Hindawi Publishing Corporation

    Dr. Vannajan S Lee

  29. Rebuttal to “density functional theory investigation of site prediction of Fe substitution in barium titanate”

    Article • Ceramics International, December 2014, Elsevier

    Dr. Vannajan S Lee

  30. Computational evaluation of unsaturated carbonitriles as neutral receptor model for beryllium(II) recognition

    Article • Journal of Molecular Modeling, November 2014, Springer Science + Business Media

    Dr. Vannajan S Lee

  31. Rational design of carbonitrile-carboxaldehyde cation receptor models: probing the nature of the heteroatom–metal interaction

    Article • Journal of Molecular Modeling, August 2014, Springer Science + Business Media

    Dr. Vannajan S Lee

  32. Active Pharmaceutical Ingredients co-crystals via solvent-free reactions

    Article • Acta Crystallographica Section A Foundations and Advances, August 2014, International Union of Crystallography

    Dr. Vannajan S Lee

  33. Crystal structure of a new monoclinic polymorph ofN-(4-methylphenyl)-3-nitropyridin-2-amine

    Article • Acta Crystallographica Section E Structure Reports Online, July 2014, International Union of Crystallography

    Prof. Dr Edward R.T. Tiekink, Dr. Vannajan S Lee

  34. Crystal structure of an antiviral ankyrin targeting the HIV-1 capsid and molecular modeling of the ankyrin-capsid complex

    Article • Journal of Computer-Aided Molecular Design, July 2014, Springer Science + Business Media

    Dr. Vannajan S Lee

  35. Investigation of Octahedral Hole Geometry and Strain Induced of Doped Perovskite Barium Titanate (BaTi0.6Ni0.2Fe0.1O3)

    Article • Integrated Ferroelectrics, June 2014, Taylor & Francis

    Dr. Vannajan S Lee

  36. GPU Accelerated Molecular Dynamics Simulations for Protein-Protein Interaction of Ankyrin Complex

    Article • Integrated Ferroelectrics, June 2014, Taylor & Francis

    Dr. Vannajan S Lee

  37. Identification of Important Residues by Computational Alanine Scanning Analysis of Interaction Mechanisms of scFv Anti-p17 Complexes Based on Molecular Dynamics Simulations

    Article • Integrated Ferroelectrics, June 2014, Taylor & Francis

    Dr. Vannajan S Lee

  38. Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction

    Article • Journal of Molecular Modeling, April 2014, Springer Science + Business Media

    Dr. Vannajan S Lee

  39. On the kinetics and reaction mechanisms of boronic acid in interaction with diols for non-enzymatic glucose monitoring applications: a hybrid DFT study

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Miss Hadieh Monajemi, Dr. Vannajan S Lee

  40. GPU-enabled molecular dynamics simulations of ankyrin kinase complex

    Article • January 2014, American Institute of Physics

    Dr. Vannajan S Lee

  41. O-desmethylquinine as a cyclooxygenase-2 (COX-2) inhibitors using AutoDock Vina

    Article • January 2014, American Institute of Physics

    Dr. Vannajan S Lee

  42. Peptide docking of HIV-1 p24 with single chain fragment variable (scFv) by CDOCKER algorithm

    Article • January 2014, American Institute of Physics

    Dr. Vannajan S Lee

  43. Theoretical structures and binding energies of RNA-RNA/cyanine dyes and spectroscopic properties of cyanine dyes

    Article • January 2014, American Institute of Physics

    Dr. Vannajan S Lee

  44. G3 Assisted Rational Design of Chemical Sensor Array Using Carbonitrile Neutral Receptors

    Article • Sensors, October 2013, MDPI AG

    Dr. Vannajan S Lee

  45. Tin (IV) alkoxide initiator design for poly (d-lactide) synthesis using DFT calculations

    Article • Computational and Theoretical Chemistry, September 2013, Elsevier

    Dr Winita Punyodom, Dr. Vannajan S Lee

  46. 2D, 3D-QSAR, and pharmacophore studies on thiazolidine-4-carboxylic acid derivatives as neuraminidase inhibitors in H3N2 influenza virus

    Article • Medicinal Chemistry Research, September 2013, Springer Science + Business Media

    Dr. Vannajan S Lee

  47. Density functional theory investigation of site predilection of Fe substitution in barium titanate

    Article • Ceramics International, May 2013, Elsevier

    Dr. Vannajan S Lee

  48. Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems

    Article • Journal of Power Sources, May 2013, Elsevier

    Dr. Vannajan S Lee

  49. Conformations and spectroscopic properties of laccaic acid A in the gas phase and in implicit water

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, March 2013, Elsevier

    Dr. Vannajan S Lee

  50. Hg2+-induced self-assembly of a naphthalimide derivative by selective “turn-on” monomer/excimer emissions

    Article • Journal of Luminescence, February 2013, Elsevier

    Dr. Vannajan S Lee

  51. Simultaneous Spectrophotometric Determination of Food Colorants Employing Multivariate Calibration Methods

    Article • Chiang Mai University Journal of Natural Sciences, January 2013, Chiang Mai University

    Dr. Vannajan S Lee

  52. Peroxidase Activity in Native and Callus Culture of Moringa Oleifera Lam

    Article • Journal of Medical and Bioengineering, January 2013, EJournal Publishing

    Dr. Vannajan S Lee

  53. K-means Clustering and Hierarchical Cluster Analysis Coupled with Linear Discriminant Analysis to Classify Signals in Osmotic Fragility Test for Thalassemia Screening

    Article • Chiang Mai University Journal of Natural Sciences, January 2013, Chiang Mai University

    Dr. Vannajan S Lee

  54. Improved scFv Anti-HIV-1 p17 Binding Affinity Guided from the Theoretical Calculation of Pairwise Decomposition Energies and Computational Alanine Scanning

    Article • BioMed Research International, January 2013, Hindawi Publishing Corporation

    Dr. Vannajan S Lee

  55. Computational and experimental study of low energy Ar+ bombardment on Nafion

    Article • Surface and Coatings Technology, April 2012, Elsevier

    Dr. Vannajan S Lee

  56. Computational Design of Peptide Inhibitor Based on Modifications of Proregion from Plutella xylostella Midgut Trypsin

    Article • Chemical Biology & Drug Design, January 2012, Wiley

    Dr. Vannajan S Lee

  57. Chemical Reaction of Soybean Flavonoids with DNA: A Computational Study Using the Implicit Solvent Model

    Article • International Journal of Molecular Sciences, January 2012, MDPI AG

    Dr. Vannajan S Lee

  58. Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment

    Article • Japanese Journal of Applied Physics, January 2012, Japan Society of Applied Physics

    Dr. Vannajan S Lee

  59. Transition state study of cyclization step in peptide catalyzed flavanone synthesis

    Article • January 2012, American Institute of Physics

    Dr. Vannajan S Lee

  60. Epoxy Resin Surface Functionalization Using Atmospheric Pressure Plasma Jet Treatment

    Article • Japanese Journal of Applied Physics, January 2012, Japan Society of Applied Physics

    Dr. Vannajan S Lee

  61. Rhodamine B-based “turn-on” fluorescent and colorimetric chemosensors for highly sensitive and selective detection of mercury (II) ions

    Article • Journal of Luminescence, January 2012, Elsevier

    Dr. Vannajan S Lee

  62. A new fluorescent sensor bearing three dansyl fluorophores for highly sensitive and selective detection of mercury(II) ions

    Article • Tetrahedron Letters, November 2011, Elsevier

    Dr. Vannajan S Lee

  63. Identification of amino acid residues of a designed ankyrin repeat protein potentially involved in intermolecular interactions with CD4: Analysis by molecular dynamics simulations

    Article • Journal of Molecular Graphics and Modelling, November 2011, Elsevier

    Dr. Vannajan S Lee

  64. Quantum Calculation in the Prediction of the Properties of Single-Walled Carbon Nanotubes (SWNTs) and Nanotube Bundles

    Article • July 2011, IntechOpen

    Dr. Vannajan S Lee

  65. Quantum Mechanics/Molecular Mechanics Modeling of Substrate-Assisted Catalysis in Family 18 Chitinases: Conformational Changes and the Role of Asp142 in Catalysis in ChiB

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

    Dr. Vannajan S Lee

  66. ChemInform Abstract: 2-[3-(2-Aminoethylsulfanyl)propylsulfanyl]ethanamine Bearing Dansyl Subunits: An Efficient, Simple and Rapid Fluorometric Sensor for the Detection of Mercury(II) Ions.

    Article • ChemInform, February 2011, Wiley

    Dr. Vannajan S Lee

  67. 2-[3-(2-Aminoethylsulfanyl)propylsulfanyl]ethanamine Bearing Dansyl Subunits: An Efficient, Simple, and Rapid Fluorometric Sensor for the Detection of Mercury(II) Ions

    Article • Chemistry Letters, October 2010, The Chemical Society of Japan

    Dr. Vannajan S Lee

  68. Molecular dynamics simulations of Krytox-Silica–Nafion composite for high temperature fuel cell electrolyte membranes

    Article • Polymer, September 2010, Elsevier

    Dr. Vannajan S Lee

  69. Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study

    Article • Journal of Computer-Aided Molecular Design, August 2010, Springer Science + Business Media

    Dr. Vannajan S Lee

  70. The gas phase conformers and vibrational spectra of valine, leucine and isoleucine: An ab initio study

    Article • Journal of Molecular Structure THEOCHEM, August 2010, Elsevier

    Dr. Vannajan S Lee

  71. Synthesis of a Novel Fluorescent Sensor Bearing Dansyl Fluorophores for the Highly Selective Detection of Mercury (II) Ions

    Article • Molecules, March 2010, MDPI AG

    Dr. Vannajan S Lee

  72. Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum

    Article • Journal of Molecular Graphics and Modelling, February 2010, Elsevier

    Dr. Vannajan S Lee

  73. Pairwise decomposition of residue interaction energies of single chain Fv with HIV-1 p17 epitope variants

    Article • Molecular Immunology, February 2010, Elsevier

    Dr. Vannajan S Lee

  74. Synthesis of Molecularly Imprinted Polymers for Nevirapine by Dummy Template Imprinting Approach

    Article • Chromatographia, November 2009, Springer Science + Business Media

    Dr. Vannajan S Lee

  75. Litchi chinensis-derived terpenoid as anti-HIV-1 protease agent: structural design from molecular dynamics simulations

    Article • Molecular Simulation, July 2009, Taylor & Francis

    Dr. Vannajan S Lee

  76. Molecular dynamic simulations analysis of ritronavir and lopinavir as SARS-CoV 3CLpro inhibitors

    Article • Journal of Theoretical Biology, October 2008, Elsevier

    Dr. Vannajan S Lee

  77. Molecular Functionalization of Cold-Plasma-Treated Bombyx mori Silk

    Article • Macromolecular Symposia, March 2008, Wiley

    Dr. Vannajan S Lee

  78. Current Development on HIV-1 Protease Inhibitors

    Article • Current Computer - Aided Drug Design, September 2007, Bentham Science Publishers

    Dr. Vannajan S Lee

  79. Structural analysis of lead fullerene-based inhibitor bound to human immunodeficiency virus type 1 protease in solution from molecular dynamics simulations

    Article • Journal of Molecular Graphics and Modelling, September 2007, Elsevier

    Dr. Vannajan S Lee

  80. Genetic Relationship Between Coptotermes gestroi and Coptotermes vastator (Isoptera: Rhinotermitidae)

    Article • Journal of Economic Entomology, April 2007, Oxford University Press (OUP)

    Dr. Vannajan S Lee

  81. Dry and Wet Molecular Dynamics Simulations of Nafion® Polymer Electrolyte Fuel Cell Membrane

    Article • Journal of Solid Mechanics and Materials Engineering, January 2007, Japan Society of Mechanical Engineers

    Dr. Vannajan S Lee

  82. Remembering Dr. Lee

    Article • January 2006, American Psychological Association (APA)

    Dr. Vannajan S Lee

  83. Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance: Molecular Dynamic Simulations.

    Article • ChemInform, May 2005, Wiley

    Dr. Vannajan S Lee

  84. Structure, Dynamics and Solvation of HIV-1 Protease/Saquinavir Complex in Aqueous Solution and Their Contributions to Drug Resistance:  Molecular Dynamic Simulations

    Article • Journal of Chemical Information and Computer Sciences, March 2005, American Chemical Society (ACS)

    Dr. Vannajan S Lee

  85. Structural Screening of HIV-1 Protease/Inhibitor Docking by Non-parametric Binomial Distribution Test

    Article • Springer Science + Business Media

    Dr. Vannajan S Lee