Rebecca Wade
NimikeViittauksetVuosi
Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program
JD Madura, JM Briggs, RC Wade, ME Davis, BA Luty, A Ilin, J Antosiewicz, ...
Computer Physics Communications 91 (1-3), 57-95, 1995
7001995
New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure
DNA Boobbyer, PJ Goodford, PM McWhinnie, RC Wade
Journal of medicinal chemistry 32 (5), 1083-1094, 1989
4051989
Simulation of the diffusional association of barnase and barstar
RR Gabdoulline, RC Wade
Biophysical journal 72 (5), 1917-1929, 1997
3031997
How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and …
SK Lüdemann, V Lounnas, RC Wade
Journal of molecular biology 303 (5), 797-811, 2000
3012000
The ins and outs of cytochrome P450s
V Cojocaru, PJ Winn, RC Wade
Biochimica et Biophysica Acta (BBA)-General Subjects 1770 (3), 390-401, 2007
2822007
Prediction of drug binding affinities by comparative binding energy analysis
AR Ortiz, MT Pisabarro, F Gago, RC Wade
Journal of medicinal chemistry 38 (14), 2681-2691, 1995
2771995
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the …
RC Wade, KJ Clark, PJ Goodford
Journal of medicinal chemistry 36 (1), 140-147, 1993
2611993
Improving the continuum dielectric approach to calculating p K as of ionizable groups in proteins
E Demchuk, RC Wade
The Journal of Physical Chemistry 100 (43), 17373-17387, 1996
2601996
Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the …
RC Wade, PJ Goodford
Journal of medicinal chemistry 36 (1), 148-156, 1993
2391993
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate
M Pavlova, M Klvana, Z Prokop, R Chaloupkova, P Banas, M Otyepka, ...
Nature chemical biology 5 (10), 727, 2009
2262009
Protein-protein association: investigation of factors influencing association rates by Brownian dynamics simulations
RR Gabdoulline, RC Wade
Journal of molecular biology 306 (5), 1139-1155, 2001
2252001
Biomolecular diffusional association
RR Gabdoulline, RC Wade
Current opinion in structural biology 12 (2), 204-213, 2002
2042002
Molecular docking using surface complementarity
V Sobolev, RC Wade, G Vriend, M Edelman
Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996
2011996
Computational approaches to identifying and characterizing protein binding sites for ligand design
S Henrich, OMH Salo‐Ahen, B Huang, FF Rippmann, G Cruciani, ...
Journal of Molecular Recognition: An Interdisciplinary Journal 23 (2), 209-219, 2010
1972010
Comparison of the dynamics of substrate access channels in three cytochrome P450s reveals different opening mechanisms and a novel functional role for a buried arginine
PJ Winn, SK Lüdemann, R Gauges, V Lounnas, RC Wade
Proceedings of the National Academy of Sciences 99 (8), 5361-5366, 2002
1892002
Computer simulation of protein-protein association kinetics: acetylcholinesterase-fasciculin
AH Elcock, RR Gabdoulline, RC Wade, JA McCammon
Journal of molecular biology 291 (1), 149-162, 1999
1871999
Electrostatic steering and ionic tethering in enzyme–ligand binding: Insights from simulations
RC Wade, RR Gabdoulline, SK Lüdemann, V Lounnas
Proceedings of the National Academy of Sciences 95 (11), 5942-5949, 1998
1841998
Brownian dynamics simulation of protein–protein diffusional encounter
RR Gabdoulline, RC Wade
Methods 14 (3), 329-341, 1998
1821998
Effective charges for macromolecules in solvent
RR Gabdoulline, RC Wade
The Journal of Physical Chemistry 100 (9), 3868-3878, 1996
1761996
A survey of active site access channels in cytochromes P450
RC Wade, PJ Winn, I Schlichting
Journal of inorganic biochemistry 98 (7), 1175-1182, 2004
1752004
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Artikkelit 1–20