Rebecca Wade

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Citations	19351	6836
h-index	76	42
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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
Stefan RichterResearch Associate, Heidelberg Institute for Theoretical StudiesVerified email at h-its.org
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
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
Sanja Tomicsenior scientist at Rudjer Boskovic InstituteVerified email at irb.hr
Jeffry MaduraProfessor of Chemistry & Biochemistry, Duquesne UniversityVerified email at duq.edu
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
Dr. Prajwal NandekarPh. DVerified email at h-its.org
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

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	759	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
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	380	2000
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	378	2007
Simulation of the diffusional association of barnase and barstar RR Gabdoulline, RC Wade Biophysical journal 72 (5), 1917-1929, 1997	333	1997
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	332	2015
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	326	1995
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	314	2009
Protein binding pocket dynamics A Stank, DB Kokh, JC Fuller, RC Wade Accounts of chemical research 49 (5), 809-815, 2016	301	2016
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	291	1993
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	286	2019
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	282	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	272	1993
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	258	2001
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	248	2010
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	246	1998
Biomolecular diffusional association RR Gabdoulline, RC Wade Current opinion in structural biology 12 (2), 204-213, 2002	240	2002
Molecular docking using surface complementarity V Sobolev, RC Wade, G Vriend, M Edelman Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996	235	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	222	1999
Brownian dynamics simulation of protein–protein diffusional encounter RR Gabdoulline, RC Wade Methods 14 (3), 329-341, 1998	219	1998

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