List of works - David W Wright

A polymorphism at position 400 in the connection subdomain of HIV-1 reverse transcriptase affects sensitivity to NNRTIs and RNaseH activity

scientific article (publication date: 2013)

Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases

scientific article published in May 2010

An Ensemble-Based Protocol for the Computational Prediction of Helix-Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics

scientific article published on 6 April 2017

Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4

scientific article published on 12 April 2019

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS).

scientific article

Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.

scientific article published on 19 August 2008

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors.

scientific article published on 27 January 2014

Domain structure of human complement C4b extends with increasing NaCl concentration: implications for its regulatory mechanism

scientific article published on 13 October 2016

From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine.

scientific article published on 15 August 2012

Global Conformational Dynamics of HIV-1 Reverse Transcriptase Bound to Non-Nucleoside Inhibitors

scientific article

Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors

scientific article published on 16 October 2020

Large-scale binding affinity calculations on commodity compute clouds

scientific article published on 16 October 2020

Loop interactions and dynamics tune the enzymatic activity of the human histone deacetylase 8.

scientific article

Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulation.

scientific article

Quantized water access to the HIV-1 protease active site as a proposed mechanism for cooperative mutations in drug affinity.

scientific article published on 8 August 2012

Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration

scientific article published on 20 December 2016

Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations

scientific article published on 07 October 2011

SCT: a suite of programs for comparing atomistic models with small-angle scattering data

scientific article

Structure, dynamics, and function of the hammerhead ribozyme in bulk water and at a clay mineral surface from replica exchange molecular dynamics.

scientific article published on 16 February 2015

The solution structures of native and patient monomeric human IgA1 reveal asymmetric extended structures: implications for function and IgAN disease

scientific article

Thumbs down for HIV: domain level rearrangements do occur in the NNRTI-bound HIV-1 reverse transcriptase.

scientific article published on 30 July 2012

List of works by David W Wright

A polymorphism at position 400 in the connection subdomain of HIV-1 reverse transcriptase affects sensitivity to NNRTIs and RNaseH activity

Accurate ensemble molecular dynamics binding free energy ranking of multidrug-resistant HIV-1 proteases

An Ensemble-Based Protocol for the Computational Prediction of Helix-Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics

Application of ESMACS binding free energy protocols to diverse datasets: Bromodomain-containing protein 4

Atomistic modelling of scattering data in the Collaborative Computational Project for Small Angle Scattering (CCP-SAS).

Automated molecular simulation based binding affinity calculator for ligand-bound HIV-1 proteases.

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors.

Domain structure of human complement C4b extends with increasing NaCl concentration: implications for its regulatory mechanism

From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine.

Global Conformational Dynamics of HIV-1 Reverse Transcriptase Bound to Non-Nucleoside Inhibitors

Hit-to-lead and lead optimization binding free energy calculations for G protein-coupled receptors

Large-scale binding affinity calculations on commodity compute clouds

Loop interactions and dynamics tune the enzymatic activity of the human histone deacetylase 8.

Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulation.

Quantized water access to the HIV-1 protease active site as a proposed mechanism for cooperative mutations in drug affinity.

Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration

Resolution of discordant HIV-1 protease resistance rankings using molecular dynamics simulations

SCT: a suite of programs for comparing atomistic models with small-angle scattering data

Structure, dynamics, and function of the hammerhead ribozyme in bulk water and at a clay mineral surface from replica exchange molecular dynamics.

The solution structures of native and patient monomeric human IgA1 reveal asymmetric extended structures: implications for function and IgAN disease

Thumbs down for HIV: domain level rearrangements do occur in the NNRTI-bound HIV-1 reverse transcriptase.