Guy Grant

Publications

• Binding Modes of Diketo-acid Inhibitors of HIV-1 Integrase: a Comparative Molecular Dynamics Simulation Study
  Journal of Molecular Graphics & Modelling. Jun, 2011  |   Pubmed ID: 21531158
• The Distinct Conformational Dynamics of K-Ras and H-Ras A59G
  PLoS Computational Biology. 2010  |   Pubmed ID: 20838576
• Computational Analysis of Phosphopeptide Binding to the Polo-box Domain of the Mitotic Kinase PLK1 Using Molecular Dynamics Simulation
  PLoS Computational Biology. 2010  |   Pubmed ID: 20711360
• Unraveling Evolutionary Constraints: a Heterogeneous Conservation in Dynamics of the Titin Ig Domains
  FEBS Letters. Mar, 2010  |   Pubmed ID: 20171214
• A Network of Dynamically Conserved Residues Deciphers the Motions of Maltose Transporter
  Proteins. Aug, 2009  |   Pubmed ID: 19274733
• Dynamics of Conserved Waters in Human Hsp90: Implications for Drug Design
  Journal of the Royal Society, Interface / the Royal Society. Dec, 2008  |   Pubmed ID: 18826913
• Classification of Proteins Based on Similarity of Two-dimensional Protein Maps
  Biophysical Chemistry. Nov, 2008  |   Pubmed ID: 18814947
• Modeling Aromatic Liquids:  Toluene, Phenol, and Pyridine
  Journal of Chemical Theory and Computation. Mar, 2007  |   Pubmed ID: 26637033
• The Effect of Solvation on Biomolecular Conformation: 2-amino-1-phenylethanol
  The Journal of Physical Chemistry. B. Aug, 2007  |   Pubmed ID: 17672488
• Role of Aromatic Amino Acids in Protein-nucleic Acid Recognition
  Biopolymers. Apr 5-15, 2007  |   Pubmed ID: 17219397
• The Structure of Liquid Benzene
  Journal of Chemical Theory and Computation. Jul, 2006  |   Pubmed ID: 26633054
• Characterization and Tissue-specific Expression of Two Lepidopteran Farnesyl Diphosphate Synthase Homologs: Implications for the Biosynthesis of Ethyl-substituted Juvenile Hormones
  Proteins. Nov, 2006  |   Pubmed ID: 16972283
• A Solvent Induced Mechanism for Conformational Change
  Chemical Communications (Cambridge, England). Apr, 2006  |   Pubmed ID: 16550275
• Structure, Electronic Circular Dichroism and Raman Optical Activity in the Gas Phase and in Solution: a Computational and Experimental Investigation
  Physical Chemistry Chemical Physics : PCCP. Apr, 2005  |   Pubmed ID: 19787965
• Diketoacid HIV-1 Integrase Inhibitors: An Ab Initio Study
  The Journal of Physical Chemistry. A. Jun, 2005  |   Pubmed ID: 16833876
• Kanamycin Reveals the Role Played by Glutamate Receptors in Shaping Plant Resource Allocation
  The Plant Journal : for Cell and Molecular Biology. Aug, 2005  |   Pubmed ID: 16045471
• Helix-forming Carbohydrate Amino Acids
  The Journal of Organic Chemistry. Mar, 2005  |   Pubmed ID: 15760191
• The Function of the Amino Terminal Domain in NMDA Receptor Modulation
  Journal of Molecular Graphics & Modelling. Jan, 2005  |   Pubmed ID: 15670959
• Evaluation of Structural Similarity Based on Reduced Dimensionality Representations of Protein Structure
  Protein Engineering, Design & Selection : PEDS. May, 2004  |   Pubmed ID: 15187225
• Combating Bioterrorism with Personal Computers
  Journal of Molecular Graphics & Modelling. Jul, 2004  |   Pubmed ID: 15182806
• The C-4 Stereochemistry of Leucocyanidin Substrates for Anthocyanidin Synthase Affects Product Selectivity
  Bioorganic & Medicinal Chemistry Letters. Nov, 2003  |   Pubmed ID: 14552794
• A Role for Glycine in the Gating of Plant NMDA-like Receptors
  The Plant Journal : for Cell and Molecular Biology. Sep, 2003  |   Pubmed ID: 12969432
• Calculation of Protein Domain Structural Similarity Using Two-dimensional Representations
  Journal of Chemical Information and Computer Sciences. Jan-Feb, 2003  |   Pubmed ID: 12546546
• Energetic and Stereochemical Effects of the Protein Environment on Substrate: a Theoretical Study of Methylmalonyl-CoA Mutase
  Journal of the American Chemical Society. Jan, 2003  |   Pubmed ID: 12537507
• Catalytic Enantioselective [3 + 2]-cycloadditions of Diazoketone-derived Aryl-substituted Carbonyl Ylides
  The Journal of Organic Chemistry. Jan, 2003  |   Pubmed ID: 12530886
• Docking of Flexible Molecules Using Multiscale Ligand Representations
  Journal of Medicinal Chemistry. Oct, 2002  |   Pubmed ID: 12361390
• Identification of Ligand Binding Sites on Proteins Using a Multi-scale Approach
  Journal of the American Chemical Society. Mar, 2002  |   Pubmed ID: 11878989
• Pinpointing Anthrax-toxin Inhibitors
  Nature Biotechnology. Feb, 2002  |   Pubmed ID: 11821849