 |
Dr D. J. Huggins
Publications
Application of inhomogeneous fluid solvation theory to model the distribution and thermodynamics of water molecules around biomolecules - David J. Huggins Physical Chemistry Chemical Physics - 2012, Issue 43
Design, Synthesis, and Biological and Structural Evaluations of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance - Maloy Kumar Parai, David J Huggins, Hong Cao, Madhavi NL Nalam, Akbar Ali, Celia A Schiffer, Bruce Tidor, Tariq M Rana Journal of Medicinal Chemistry - 2012, Volume 55: Issue 14
Benchmarking the Thermodynamic Analysis of Water Molecules Around a Model Beta Sheet - David J. Huggins Journal of Computational Chemistry - 2012, Published Online
Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models - David J. Huggins Journal of Chemical Physics - 2012, Volume 136: Issue 6
Rational Approaches to Improving Selectivity in Drug Design - David J. Huggins, Woody Sherman, and Bruce Tidor Journal of Medicinal Chemistry - 2012 , Volume 55: Issue 4
Thermodynamic Properties of Water Molecules at a Protein–Protein Interaction Surface - David J. Huggins, May Marsh, Mike C. Payne Journal of Chemical Theory and Computation - 2011 , Volume 7: Issue 11
Systematic placement of structural water molecules for improved scoring of protein-ligand interactions - David J. Huggins and Bruce Tidor Protein Engineering, Design and Selection - 2011, Volume 24: Issue 10
Rational Methods for the Selection of Diverse Screening Compounds - David J. Huggins, Ashok R. Venkitaraman, David R. Spring ACS Chemical Biology - 2011, Volume 6: Issue 3
Computational Analysis of Phosphopeptide Binding to the Polo-box Domain of the Mitotic Kinase PLK1 Using Molecular Dynamics Simulation - David J. Huggins, Grahame J. McKenzie, Daniel D. Robinson, Ana J. Narvaez, Bryn Hardwick, Meredith Roberts-Thomson, Ashok R. Venkitaraman, Guy H. Grant and Mike C. Payne PLoS Computational Biology - 2010, Volume 6: Issue 8
Evaluation of an Inverse Molecular Design Algorithm in a Model Binding Site - David J. Huggins, Michael Altman, Bruce Tidor Proteins: Structure, Function and Bioinformatics - 2009, Volume 75: Issue 1
Characterization and tissue-specific expression of two lepidopteran farnesyl diphosphate synthase homologs: implications for the biosynthesis of ethyl-substituted juvenile hormones - Michel Cusson, Catherine Beliveau, Stephanie E. Sen, Sophie Vandermoten, Robert G. Rutledge, Don Stewart, Frederic Francis, Eric Haubruge, Peter Rehse, David J. Huggins, Guy H. Grant Proteins: Structure, Function and Bioinformatics - 2006, Volume 65: Issue 3
Kanamycin reveals the role played by glutamate receptors in shaping plant resource allocation - Christian Dubos, David J. Huggins, Guy H. Grant, Malcolm M. Campbell The Plant Journal - 2005, Volume 43: Issue 3
The Function of the N-Terminal Domain in NMDA Receptor Modulation - David Huggins and Guy H. Grant The Journal of Molecular Graphics and Modelling Volume - 2005, Volume 23: Issue 4
A role for glycine in the gating of plant NMDA-like receptors - *Christian Dubos, *David Huggins, Guy H. Grant, Marc R. Knight, Malcolm M. Campbell. (Joint First Authors) The Plant Journal - 2003, Volume 35: Issue 6