David W. Wright
David W. Wright
Centre for Computational Science, University College London
Verified email at ucl.ac.uk - Homepage
TitleCited byYear
Computing clinically relevant binding free energies of HIV-1 protease inhibitors
DW Wright, BA Hall, OA Kenway, S Jha, PV Coveney
Journal of chemical theory and computation 10 (3), 1228-1241, 2014
882014
Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases
SK Sadiq, DW Wright, OA Kenway, PV Coveney
Journal of chemical information and modeling 50 (5), 890-905, 2010
872010
Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases
SK Sadiq, D Wright, SJ Watson, SJ Zasada, I Stoica, PV Coveney
Journal of Chemical Information and Modeling 48 (9), 1909-1919, 2008
662008
Rapid, accurate, precise, and reliable relative free energy prediction using ensemble based thermodynamic integration
AP Bhati, S Wan, DW Wright, PV Coveney
Journal of chemical theory and computation 13 (1), 210-222, 2016
482016
Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS)
SJ Perkins, DW Wright, H Zhang, EH Brookes, J Chen, TC Irving, ...
Journal of applied crystallography 49 (6), 1861-1875, 2016
362016
Ten simple rules for effective computational research
JM Osborne, MO Bernabeu, M Bruna, B Calderhead, J Cooper, ...
PLoS Computational Biology 10 (3), 2014
342014
Loop Interactions and Dynamics Tune the Enzymatic Activity of the Human Histone Deacetylase 8
MBA Kunze, DW Wright, ND Werbeck, J Kirkpatrick, PV Coveney, ...
Journal of the American Chemical Society 135 (47), 17862–17868, 2013
302013
Thumbs down for HIV: domain level rearrangements do occur in the NNRTI-bound HIV-1 reverse transcriptase
DW Wright, SK Sadiq, G De Fabritiis, PV Coveney
Journal of the American Chemical Society 134 (31), 12885-12888, 2012
232012
Real science at the petascale
RS Saksena, B Boghosian, L Fazendeiro, OA Kenway, S Manos, ...
Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2009
222009
SCT: a suite of programs for comparing atomistic models with small-angle scattering data
DW Wright, SJ Perkins
Journal of Applied Crystallography 48 (3), 2015
212015
An ensemble-based protocol for the computational prediction of helix–helix interactions in G Protein-coupled receptors using coarse-grained molecular dynamics
NA Altwaijry, M Baron, DW Wright, PV Coveney, A Townsend-Nicholson
Journal of chemical theory and computation 13 (5), 2254-2270, 2017
172017
Mutation V111I in HIV-2 reverse transcriptase increases the fitness of the nucleoside analogue-resistant K65R and Q151M viruses
IP Deuzing, C Charpentier, DW Wright, S Matheron, J Paton, D Frentz, ...
Journal of virology 89 (1), 833-843, 2015
162015
Structure, dynamics, and function of the hammerhead ribozyme in bulk water and at a clay mineral surface from replica exchange molecular dynamics
JB Swadling, DW Wright, JL Suter, PV Coveney
Langmuir 31 (8), 2493-2501, 2015
152015
The solution structures of native and patient monomeric human IgA1 reveal asymmetric extended structures: implications for function and IgAN disease
GK Hui, DW Wright, OL Vennard, LE Rayner, M Pang, SC Yeo, J Gor, ...
Biochemical Journal 471 (2), 167-185, 2015
132015
Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations
DW Wright, PV Coveney
Journal of chemical information and modeling 51 (10), 2636-2649, 2011
122011
Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulation
S Wan, DW Wright, PV Coveney
Molecular cancer therapeutics 11 (11), 2394-2400, 2012
102012
From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine
DW Wright, S Wan, N Shublaq, SJ Zasada, PV Coveney
Wiley Interdisciplinary Reviews: Systems Biology and Medicine 4 (6), 585-598, 2012
102012
A Polymorphism at Position 400 in the Connection Subdomain of HIV-1 Reverse Transcriptase Affects Sensitivity to NNRTIs and RNaseH Activity
DW Wright, IP Deuzing, P Flandre, P van den Eede, M Govaert, ...
PLOS ONE, 2013
82013
High-throughput binding affinity calculations at extreme scales
J Dakka, M Turilli, DW Wright, SJ Zasada, V Balasubramanian, S Wan, ...
BMC bioinformatics 19 (18), 482, 2018
72018
Global conformational dynamics of HIV-1 reverse transcriptase bound to non-nucleoside inhibitors
DW Wright, BA Hall, P Kellam, PV Coveney
Biology 1 (2), 222-244, 2012
62012
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Articles 1–20