David W. Wright

Publication Activity (10 Years)

Years Active: 2008-2022
Publications (10 Years): 8

Top Topics

Adaptive Algorithms

Transcriptional Regulation

Top Venues

Publications

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) (2022)
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)
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)
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. (18) (2018)
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)
David W. Wright, Robin A. Richardson, Peter V. Coveney
Practical challenges for biomedical modeling using HPC. PeerJ Prepr. 6 (2018)
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 (2018)
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 (2017)
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)
David W. Wright, Peter V. Coveney
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations. J. Chem. Inf. Model. 51 (10) (2011)
Owain Kenway, David W. Wright, Helmut Heller, André Merzky, Gavin 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)
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) (2010)
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) (2008)