David W Wright

8PUBLICATIONS
13CO-AUTHORS
Quantum information, computation and communicationCheminformatics and quantitative structure-activity relationshipsComputational chemistryBiomolecular modelling and designBioinformatic methods development
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Publications (8)

|Jul 10, 2026
What is the future role of quantum computation in drug discovery?

|May 04, 2022
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.

Shunzhou Wan, Agastya P Bhati, David W Wright

|Sep 23, 2021
Application of the ESMACS Binding Free Energy Protocol to a Multi-Binding Site Lactate Dehydogenase A Ligand Dataset.

David W Wright, Fouad Husseini, Shunzhou Wan

|Nov 12, 2020
Large-scale binding affinity calculations on commodity compute clouds.

S J Zasada, D W Wright, P V Coveney

|Nov 12, 2020
Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors.

Shunzhou Wan, Andrew Potterton, Fouad S Husseini

|Apr 14, 2019
Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4.

David W Wright, Shunzhou Wan, Christophe Meyer

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Frequent Collaborators

7 joint publications

Peter V Coveney

5 joint publications

Shunzhou Wan

2 joint publications

Andrea Townsend-Nicholson

2 joint publications

Christophe Meyer