Publications by authors named "Helen M Deeks"

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Free energy along drug-protein binding pathways interactively sampled in virtual reality.
Helen M Deeks, Kirill Zinovjev, Jonathan Barnoud, Adrian J Mulholland, Marc W van der Kamp

Sci Rep· October 2023

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Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists.
Robin J Shannon, Helen M Deeks, Eleanor Burfoot, Edward Clark, Alex J Jones

J Chem Phys· October 2021

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Discovery of SARS-CoV-2 M peptide inhibitors from modelling substrate and ligand binding.
H T Henry Chan, Marc A Moesser, Rebecca K Walters, Tika R Malla, Rebecca M Twidale, Helen M Deeks

Chem Sci· October 2021

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Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease.
Helen M Deeks, Rebecca K Walters, Jonathan Barnoud, David R Glowacki, Adrian J Mulholland

J Chem Inf Model· December 2020

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Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking.
Helen M Deeks, Rebecca K Walters, Stephanie R Hare, Michael B O'Connor, Adrian J Mulholland

PLoS One· June 2020

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Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework.
Michael B O'Connor, Simon J Bennie, Helen M Deeks, Alexander Jamieson-Binnie, Alex J Jones

J Chem Phys· June 2019

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Sampling molecular conformations and dynamics in a multiuser virtual reality framework.
Michael O'Connor, Helen M Deeks, Edward Dawn, Oussama Metatla, Anne Roudaut

Sci Adv· June 2018

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