| Water determines the structure and dynamics of proteins MC Bellissent-Funel, A Hassanali, M Havenith, R Henchman, P Pohl, ... Chemical reviews 116 (13), 7673-7697, 2016 | 1028 | 2016 |
| Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy JMJ Swanson, RH Henchman, JA McCammon Biophysical journal 86 (1), 67-74, 2004 | 635 | 2004 |
| Protons and hydroxide ions in aqueous systems N Agmon, HJ Bakker, RK Campen, RH Henchman, P Pohl, S Roke, ... Chemical reviews 116 (13), 7642-7672, 2016 | 566 | 2016 |
| Discovery of a novel binding trench in HIV integrase JR Schames, RH Henchman, JS Siegel, CA Sotriffer, H Ni, ... Journal of medicinal chemistry 47 (8), 1879-1881, 2004 | 492 | 2004 |
| Standard free energy of binding from a one-dimensional potential of mean force S Doudou, NA Burton, RH Henchman Journal of chemical theory and computation 5 (4), 909-918, 2009 | 254 | 2009 |
| Water The Most Anomalous Liquid LGM Pettersson, RH Henchman, A Nilsson Chemical reviews 116 (13), 7459-7462, 2016 | 215 | 2016 |
| Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity DJ Huggins, PC Biggin, MA Dämgen, JW Essex, SA Harris, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 9 (3), e1393, 2019 | 199 | 2019 |
| Molecular dynamics of acetylcholinesterase T Shen, K Tai, RH Henchman, JA McCammon Accounts of Chemical Research 35 (6), 332-340, 2002 | 194 | 2002 |
| Agonist-mediated conformational changes in acetylcholine-binding protein revealed by simulation and intrinsic tryptophan fluorescence F Gao, N Bren, TP Burghardt, S Hansen, RH Henchman, P Taylor, ... Journal of Biological Chemistry 280 (9), 8443-8451, 2005 | 180 | 2005 |
| A gating mechanism proposed from a simulation of a human α7 nicotinic acetylcholine receptor RJ Law, RH Henchman, JA McCammon Proceedings of the National Academy of Sciences 102 (19), 6813-6818, 2005 | 178 | 2005 |
| Structural and dynamic properties of water around acetylcholinesterase RH Henchman, JA McCammon Protein science 11 (9), 2080-2090, 2002 | 136 | 2002 |
| Mechanism of acetylcholinesterase inhibition by fasciculin: a 5-ns molecular dynamics simulation K Tai, T Shen, RH Henchman, Y Bourne, P Marchot, JA McCammon Journal of the American Chemical Society 124 (21), 6153-6161, 2002 | 109 | 2002 |
| Transition-state theory model for the diffusion coefficients of small penetrants in glassy polymers AA Gray-Weale, RH Henchman, RG Gilbert, ML Greenfield, ... Macromolecules 30 (23), 7296-7306, 1997 | 103 | 1997 |
| Asymmetric structural motions of the homomeric α7 nicotinic receptor ligand binding domain revealed by molecular dynamics simulation RH Henchman, HL Wang, SM Sine, P Taylor, JA McCammon Biophysical Journal 85 (5), 3007-3018, 2003 | 98 | 2003 |
| Free energy of liquid water from a computer simulation via cell theory RH Henchman The Journal of chemical physics 126 (6), 2007 | 96 | 2007 |
| Topological hydrogen-bond definition to characterize the structure and dynamics of liquid water RH Henchman, SJ Irudayam The Journal of Physical Chemistry B 114 (50), 16792-16810, 2010 | 93 | 2010 |
| Extracting hydration sites around proteins from explicit water simulations RH Henchman, JA McCammon Journal of computational chemistry 23 (9), 861-869, 2002 | 93 | 2002 |
| Ligand-induced conformational change in the α7 nicotinic receptor ligand binding domain RH Henchman, HL Wang, SM Sine, P Taylor, JA McCammon Biophysical Journal 88 (4), 2564-2576, 2005 | 90 | 2005 |
| Entropic cost of protein− ligand binding and its dependence on the entropy in solution SJ Irudayam, RH Henchman The Journal of Physical Chemistry B 113 (17), 5871-5884, 2009 | 85 | 2009 |
| Properties of water molecules in the active site gorge of acetylcholinesterase from computer simulation RH Henchman, K Tai, T Shen, JA McCammon Biophysical journal 82 (5), 2671-2682, 2002 | 69 | 2002 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
