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Rebecca Wade
Název
Citace
Citace
Rok
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
7511995
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
4661989
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
3642007
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
3642000
Simulation of the diffusional association of barnase and barstar
RR Gabdoulline, RC Wade
Biophysical journal 72 (5), 1917-1929, 1997
3291997
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
3121995
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
3062009
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
3052015
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
2861993
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
2801996
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
2671993
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
2532001
Protein binding pocket dynamics
A Stank, DB Kokh, JC Fuller, RC Wade
Accounts of chemical research 49 (5), 809-815, 2016
2512016
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
2392010
Allostery in its many disguises: from theory to applications
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
2362019
Biomolecular diffusional association
RR Gabdoulline, RC Wade
Current opinion in structural biology 12 (2), 204-213, 2002
2342002
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
2341998
Molecular docking using surface complementarity
V Sobolev, RC Wade, G Vriend, M Edelman
Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996
2301996
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
2221999
Brownian dynamics simulation of protein–protein diffusional encounter
RR Gabdoulline, RC Wade
Methods 14 (3), 329-341, 1998
2111998
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Články 1–20