Rebecca Wade

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Citations	18664	6264
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Razif GabdoullineMedical School HannoverVerified email at mh-hannover.de
Daria B. KokhCancer Registry of Baden-WürttembergVerified email at klr-krbw.de
Costi Maria PaolaMedicinal chemistry professor University of Modena and Reggio EmiliaVerified email at unimore.it
Peter J WinnUniversity Of BirminghamVerified email at bham.ac.uk
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
Stefan RichterResearch Associate, Heidelberg Institute for Theoretical StudiesVerified email at h-its.org
Jiri DamborskyMasaryk UniversityVerified email at chemi.muni.cz
Vlad CojocaruBabes Bolyai University / Utrecht UniversityVerified email at cojocarulab.eu
Stefania FerrariDepartment of Life Sciences, Unversity of Modena and Reggio EmiliaVerified email at unimore.it
Outi M. H. Salo-AhenAdjunct Professor (Docent), Senior University Lecturer, Åbo Akademi UniversityVerified email at abo.fi
Volkhard HelmsSaarland University, Saarbruecken, GermanyVerified email at bioinformatik.uni-saarland.de
Neil J. BrucePostdoctoral Associate, Heidelberg Institute for Theoretical StudiesVerified email at h-its.org
Jeffry MaduraProfessor of Chemistry & Biochemistry, Duquesne UniversityVerified email at duq.edu
Sanja Tomicsenior scientist at Rudjer Boskovic InstituteVerified email at irb.hr
Matthias SteinMax Planck Institute MagdeburgVerified email at mpi-magdeburg.mpg.de
James M. BriggsProfessor of Biochemistry, University of HoustonVerified email at uh.edu
Gabriele CrucianiUniversità di PerugiaVerified email at unipg.it
Paolo Mereghettipost-doc, Italian Institute of Technology, PisaVerified email at iit.it
STEFANO MANGANIDepartment of Biotechnology, Chemistry and Pharmacy University of SienaVerified email at unisi.it
Dr. Prajwal NandekarPh. DVerified email at h-its.org

Rebecca Wade

Heidelberg Institute for Theoretical Studies and Heidelberg University

Verified email at h-its.org - Homepage

Computational Structural Biology Computational Biophysics Computer aided Drug Design Molecular Recognition


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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	755	1995
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	468	1989
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	367	2007
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	367	2000
Simulation of the diffusional association of barnase and barstar RR Gabdoulline, RC Wade Biophysical journal 72 (5), 1917-1929, 1997	330	1997
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	313	1995
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	308	2015
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	308	2009
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	289	1993
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	283	1996
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	268	1993
Protein binding pocket dynamics A Stank, DB Kokh, JC Fuller, RC Wade Accounts of chemical research 49 (5), 809-815, 2016	264	2016
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	253	2001
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	249	2019
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	244	2010
Biomolecular diffusional association RR Gabdoulline, RC Wade Current opinion in structural biology 12 (2), 204-213, 2002	236	2002
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	236	1998
Molecular docking using surface complementarity V Sobolev, RC Wade, G Vriend, M Edelman Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996	231	1996
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	223	1999
Brownian dynamics simulation of protein–protein diffusional encounter RR Gabdoulline, RC Wade Methods 14 (3), 329-341, 1998	212	1998

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