Rebecca Wade

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	All	Since 2019
Citations	20494	6915
h-index	78	43
i10-index	239	147

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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
Vlad CojocaruBabes Bolyai University / Utrecht UniversityVerified email at ubbcluj.ro
Jiri DamborskyMasaryk UniversityVerified email at chemi.muni.cz
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
Sanja Tomicsenior scientist at Rudjer Boskovic InstituteVerified email at irb.hr
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
Matthias SteinMax Planck Institute MagdeburgVerified email at mpi-magdeburg.mpg.de
James M. BriggsProfessor of Biochemistry, University of HoustonVerified email at uh.edu
Ariane Nunes AlvesJunior Group Leader, Technische Universität BerlinVerified email at tu-berlin.de
Dr. Prajwal NandekarPh. DVerified email at h-its.org
Gabriele CrucianiUniversità di PerugiaVerified email at unipg.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	771	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	470	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	408	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	399	2000
Protein binding pocket dynamics A Stank, DB Kokh, JC Fuller, RC Wade Accounts of chemical research 49 (5), 809-815, 2016	373	2016
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	372	2015
Simulation of the diffusional association of barnase and barstar RR Gabdoulline, RC Wade Biophysical journal 72 (5), 1917-1929, 1997	333	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	327	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	323	2009
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	320	2019
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	299	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	284	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	278	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	265	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	259	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	254	1998
Biomolecular diffusional association RR Gabdoulline, RC Wade Current opinion in structural biology 12 (2), 204-213, 2002	243	2002
Modeling and simulation of protein–surface interactions: achievements and challenges M Ozboyaci, DB Kokh, S Corni, RC Wade Quarterly reviews of biophysics 49, e4, 2016	238	2016
Molecular docking using surface complementarity V Sobolev, RC Wade, G Vriend, M Edelman Proteins: Structure, Function, and Bioinformatics 25 (1), 120-129, 1996	234	1996
Protein conformational flexibility modulates kinetics and thermodynamics of drug binding M Amaral, DB Kokh, J Bomke, A Wegener, HP Buchstaller, ... Nature communications 8 (1), 2276, 2017	232	2017

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