David W. Wright
Orcid: 0000-0002-5124-8044Affiliations:
- University College London, Centre for Computational Science, Department of Chemistry, UK (PhD 2011)
According to our database1,
David W. Wright
authored at least 12 papers
between 2008 and 2022.
Collaborative distances:
Collaborative distances:
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on orcid.org
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Bibliography
2022
Ensemble Simulations and Experimental Free Energy Distributions: Evaluation and Characterization of Isoxazole Amides as SMYD3 Inhibitors.
J. Chem. Inf. Model., 2022
2019
Introducing VECMAtk - Verification, Validation and Uncertainty Quantification for Multiscale and HPC Simulations.
Proceedings of the Computational Science - ICCS 2019, 2019
2018
CoRR, 2018
BMC Bioinform., 2018
Proceedings of the 14th IEEE International Conference on e-Science, 2018
Enabling Trade-offs Between Accuracy and Computational Cost: Adaptive Algorithms to Reduce Time to Clinical Insight.
Proceedings of the 18th IEEE/ACM International Symposium on Cluster, 2018
2014
2011
Resolution of Discordant HIV-1 Protease Resistance Rankings Using Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2011
Towards high-throughput, high-performance computational estimation of binding affinities for patient specific HIV-1 protease sequences.
Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011
2010
Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases.
J. Chem. Inf. Model., 2010
2008
Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases.
J. Chem. Inf. Model., 2008