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Richard Henchman
Richard Henchman
Sydney Medical School, University of Sydney
Verifisert e-postadresse på uni.sydney.edu.au
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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
8962016
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
6132004
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
4902016
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
4772004
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
2412009
Molecular dynamics of acetylcholinesterase
T Shen, K Tai, RH Henchman, JA McCammon
Accounts of Chemical Research 35 (6), 332-340, 2002
1902002
Water The Most Anomalous Liquid
LGM Pettersson, RH Henchman, A Nilsson
Chemical reviews 116 (13), 7459-7462, 2016
1842016
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
1762005
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
1762005
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
1712019
Structural and dynamic properties of water around acetylcholinesterase
RH Henchman, JA McCammon
Protein science 11 (9), 2080-2090, 2002
1332002
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
1042002
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
1001997
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
972003
Free energy of liquid water from a computer simulation via cell theory
RH Henchman
The Journal of chemical physics 126 (6), 2007
932007
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
922010
Extracting hydration sites around proteins from explicit water simulations
RH Henchman, JA McCammon
Journal of computational chemistry 23 (9), 861-869, 2002
922002
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
882005
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
822009
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
682002
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Artikler 1–20