Rebecca Wade
Title
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Cited by
Year
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
7151995
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
4211989
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
3202000
Simulation of the diffusional association of barnase and barstar
RR Gabdoulline, RC Wade
Biophysical journal 72 (5), 1917-1929, 1997
3121997
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
2992007
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
2881995
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
2681993
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
2651996
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), 727-733, 2009
2472009
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
2451993
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
2302001
Biomolecular diffusional association
RR Gabdoulline, RC Wade
Current opinion in structural biology 12 (2), 204-213, 2002
2172002
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
2132010
Molecular docking using surface complementarity
V Sobolev, RC Wade, G Vriend, M Edelman
Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996
2121996
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
1971998
Crucial HSP70 co-chaperone complex unlocks metazoan protein disaggregation
NB Nillegoda, J Kirstein, A Szlachcic, M Berynskyy, A Stank, F Stengel, ...
Nature 524 (7564), 247-251, 2015
1952015
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
1941999
Brownian dynamics simulation of protein–protein diffusional encounter
RR Gabdoulline, RC Wade
Methods 14 (3), 329-341, 1998
1931998
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
1912002
Effective charges for macromolecules in solvent
RR Gabdoulline, RC Wade
The Journal of Physical Chemistry 100 (9), 3868-3878, 1996
1801996
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Articles 1–20