David W Wright (D W Wright)

ORCID

Publication Activity (10 Years)

Years Active: 2016-2022
Publications (10 Years): 7

Top Venues

Interface focus

Journal of chemical theory and computation

Advanced theory and simulations

Scientific reports

Kuano

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Kuano Mar 5o 2020

United Kingdom

CTO / Founder

Publications

Shunzhou Wan, Agastya P Bhati, David W Wright, Ian D Wall, Alan P Graves, Darren Green, Peter V Coveney
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors. Journal of chemical information and modeling 62 (10) (2022)
Shunzhou Wan, Andrew Potterton, Fouad S Husseini, David W Wright, Alexander Heifetz, Maciej Malawski, Andrea Townsend-Nicholson, Peter V Coveney
Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors. Interface focus 10 (6) (2020)
Stefan J Zasada, David W Wright, Peter V Coveney
Large-scale binding affinity calculations on commodity compute clouds. Interface focus 10 (6) (2020)
David W Wright, Fouad S Husseini, Shunzhou Wan, Christophe Meyer, Herman W T van Vlijmen, Gary Tresadern, Peter V Coveney
Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand Dataset. Advanced theory and simulations 3 (1) (2019)
David W Wright, Shunzhou Wan, Christophe Meyer, Herman W T van Vlijmen, Gary Tresadern, Peter V Coveney
Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4. Scientific reports 9 (1) (2019)
Nojood A Altwaijry, Michael Baron, David W Wright, Peter V Coveney, Andrea Townsend-Nicholson
An Ensemble-Based Protocol for the Computational Prediction of Helix-Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics. Journal of chemical theory and computation 13 (5) (2017)
Agastya P Bhati, Shunzhou Wan, David W Wright, Peter V Coveney
Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration. Journal of chemical theory and computation 13 (1) (2016)

David W Wright.css-eqlu8i{font-size:small;padding-left:4px;} (D W Wright)

Publication Activity (10 Years)

Top Topics

Top Venues

David W Wright (D W Wright)