| 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 | 417 | 2007 |
| 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 | 220 | 2002 |
| Self-organizing molecular field analysis: A tool for structure− activity studies DD Robinson, PJ Winn, PD Lyne, WG Richards Journal of medicinal chemistry 42 (4), 573-583, 1999 | 220 | 1999 |
| A survey of active site access channels in cytochromes P450 RC Wade, PJ Winn, I Schlichting Journal of inorganic biochemistry 98 (7), 1175-1182, 2004 | 201 | 2004 |
| Do mammalian cytochrome P450s show multiple ligand access pathways and ligand channelling? K Schleinkofer, Sudarko, PJ Winn, SK Lüdemann, RC Wade EMBO reports 6 (6), 584-589, 2005 | 152 | 2005 |
| A conserved motif flags acyl carrier proteins for β-branching in polyketide synthesis AS Haines, X Dong, Z Song, R Farmer, C Williams, J Hothersall, ... Nature chemical biology 9 (11), 685-692, 2013 | 82 | 2013 |
| Determinants of functionality in the ubiquitin conjugating enzyme family PJ Winn, TL Religa, JND Battey, A Banerjee, RC Wade Structure 12 (9), 1563-1574, 2004 | 77 | 2004 |
| ProMetCS: An atomistic force field for modeling protein− metal surface interactions in a continuum aqueous solvent DB Kokh, S Corni, PJ Winn, M Hoefling, KE Gottschalk, RC Wade Journal of chemical theory and computation 6 (5), 1753-1768, 2010 | 72 | 2010 |
| Toward improved force fields. 1. Multipole-derived atomic charges PJ Winn, GG Ferenczy, CA Reynolds The Journal of Physical Chemistry A 101 (30), 5437-5445, 1997 | 66 | 1997 |
| Toward improved force fields. 2. Effective distributed multipoles GG Ferenczy, PJ Winn, CA Reynolds The Journal of Physical Chemistry A 101 (30), 5446-5455, 1997 | 65 | 1997 |
| Classical polarization in hybrid QM/MM methods CJR Illingworth, SR Gooding, PJ Winn, GA Jones, GG Ferenczy, ... The Journal of Physical Chemistry A 110 (20), 6487-6497, 2006 | 64 | 2006 |
| Characterization of mutations in the PAS domain of the EvgS sensor kinase selected by laboratory evolution for acid resistance in Escherichia coli MD Johnson, J Bell, K Clarke, R Chandler, P Pathak, Y Xia, RL Marshall, ... Molecular microbiology 93 (5), 911-927, 2014 | 50 | 2014 |
| Three-dimensional structural modelling and calculation of electrostatic potentials of HLA Bw4 and Bw6 epitopes to explain the molecular basis for alloantibody binding: toward … DH Mallon, JA Bradley, PJ Winn, CJ Taylor, V Kosmoliaptsis Transplantation 99 (2), 385-390, 2015 | 45 | 2015 |
| Towards improved force fields: III. Polarization through modified atomic charges PJ Winn, GG Ferenczy, CA Reynolds Journal of computational chemistry 20 (7), 704-712, 1999 | 45 | 1999 |
| Protein–protein docking by simulating the process of association subject to biochemical constraints D Motiejunas, R Gabdoulline, T Wang, A Feldman‐Salit, T Johann, ... Proteins: Structure, Function, and Bioinformatics 71 (4), 1955-1969, 2008 | 41 | 2008 |
| DeepCDpred: Inter-residue distance and contact prediction for improved prediction of protein structure S Ji, T Oruç, L Mead, MF Rehman, CM Thomas, S Butterworth, PJ Winn PloS one 14 (1), e0205214, 2019 | 36 | 2019 |
| Multiple, ligand-dependent routes from the active site of cytochrome P450 2C9 V Cojocaru, P J. Winn, R C. Wade Current drug metabolism 13 (2), 143-154, 2012 | 36 | 2012 |
| Multiple molecular recognition mechanisms. Cytochrome P450—a case study RC Wade, D Motiejunas, K Schleinkofer, PJ Winn, A Banerjee, A Kariakin, ... Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics 1754 (1-2), 239-244, 2005 | 36 | 2005 |
| Selective AKR1C3 inhibitors do not recapitulate the anti-leukaemic activities of the pan-AKR1C inhibitor medroxyprogesterone acetate F Khanim, N Davies, P Veliça, R Hayden, J Ride, C Pararasa, MG Chong, ... British journal of cancer 110 (6), 1506-1516, 2014 | 35 | 2014 |
| Structure, function and dynamics in acyl carrier proteins R Farmer, CM Thomas, PJ Winn PLoS One 14 (7), e0219435, 2019 | 29 | 2019 |
Rebecca WadeHeidelberg Institute for Theoretical Studies and Heidelberg UniversityPatvirtintas el. paštas h-its.org
