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ORCIDDavid W. Wright 0001
Person information
- affiliation (PhD 2011): University College London, Centre for Computational Science, Department of Chemistry, UK
Other persons with the same name
- David W. Wright 0002 — Emory University, School of Medicine, Atlanta, GA, USA
- David W. Wright 0003 — Hewlett-Packard Labs
- David W. Wright 0004 — Vanderbilt University, Department of Chemistry, Nashville, TN, USA
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2020 – today
- 2022
[j6]Shunzhou Wan
, Agastya P. Bhati, David W. Wright, Ian D. Wall, Alan P. Graves, Darren V. S. Green, Peter V. Coveney:
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. J. Chem. Inf. Model. 62(10): 2561-2570 (2022)
2010 – 2019
- 2019
- [c4]Derek Groen, Robin A. Richardson, David W. Wright, Vytautas Jancauskas, Robert Sinclair, Paul Karlshoefer, Maxime Vassaux, Hamid Arabnejad, Tomasz Piontek, Piotr Kopta, Bartosz Bosak, Jalal Lakhlili, Olivier Hoenen, Diana Suleimenova, Wouter Edeling, Daan Crommelin, Anna Nikishova, Peter V. Coveney:
Introducing VECMAtk - Verification, Validation and Uncertainty Quantification for Multiscale and HPC Simulations. ICCS (4) 2019: 479-492 - 2018
- [j5]Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha:
High-throughput binding affinity calculations at extreme scales. BMC Bioinform. 19-S(18): 33-45 (2018) - [c3]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, Shunzhou Wan, David W. Wright, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight. CCGrid 2018: 572-577 - [c2]Jumana Dakka, Kristof Farkas-Pall, Matteo Turilli, David W. Wright, Peter V. Coveney, Shantenu Jha:
Concurrent and Adaptive Extreme Scale Binding Free Energy Calculations. eScience 2018: 189-200 - [i3]Jumana Dakka, Kristof Farkas-Pall, Vivek Balasubramanian, Matteo Turilli, David W. Wright, Shunzhou Wan, Stefan J. Zasada, Peter V. Coveney, Shantenu Jha:
Rapid, concurrent and adaptive extreme scale binding free energy calculation. CoRR abs/1801.01174 (2018) - [i2]David W. Wright, Robin A. Richardson, Peter V. Coveney:
Practical challenges for biomedical modeling using HPC. PeerJ Prepr. 6: e27299 (2018) - 2017
- [i1]Jumana Dakka, Matteo Turilli, David W. Wright, Stefan J. Zasada, Vivek Balasubramanian, Shunzhou Wan, Peter V. Coveney, Shantenu Jha:
High-throughput Binding Affinity Calculations at Extreme Scales. CoRR abs/1712.09168 (2017) - 2014
- [j4]James M. Osborne, Miguel O. Bernabeu, Maria Bruna, Ben Calderhead, Jonathan Cooper, Neil Dalchau, Sara-Jane Dunn, Alexander G. Fletcher, Robin Freeman, Derek Groen, Bernhard Knapp, Greg J. McInerny, Gary R. Mirams, Joe Pitt-Francis, Biswa Sengupta, David W. Wright, Christian A. Yates, David Gavaghan, Stephen Emmott, Charlotte M. Deane:
Ten Simple Rules for Effective Computational Research. PLoS Comput. Biol. 10(3) (2014) - 2011
- [j3]David W. Wright, Peter V. Coveney:
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 51(10): 2636-2649 (2011) - [c1]Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin J. Pringle, Jules Wolfrat, Peter V. Coveney, Shantenu Jha:
Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences. TG 2011: 4:1-4:8 - 2010
- [j2]S. Kashif Sadiq, David W. Wright, Owain Kenway, Peter V. Coveney:
Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases. J. Chem. Inf. Model. 50(5): 890-905 (2010)
2000 – 2009
- 2008
- [j1]S. Kashif Sadiq, David W. Wright, Simon J. Watson, Stefan J. Zasada, Ileana Stoica, Peter V. Coveney:
Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases. J. Chem. Inf. Model. 48(9): 1909-1919 (2008)
Coauthor Index
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