Dr Helen Deeks
MPharm, MSc, PhD
Current positions
Research Software Engineer for Composites Simulations
School of Civil, Aerospace and Design Engineering
Contact
Press and media
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Publications
Recent publications
04/10/2023Free energy along drug-protein binding pathways interactively sampled in virtual reality
Scientific Reports
Discovery of SARS-CoV-2 Mpro peptide inhibitors from modelling substrate and ligand binding
Chemical Science
Exploring human-guided strategies for reaction network exploration
The Journal of Chemical Physics
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
PLoS ONE
Interactive Molecular Dynamics in Virtual Reality Is an Effective Tool for Flexible Substrate and Inhibitor Docking to the SARS-CoV-2 Main Protease
Journal of Chemical Information and Modeling
Thesis
Biomolecular Applications of Interactive Molecular Dynamics in Virtual Reality
Supervisors
Award date
21/01/2021
Related people
Professor Adrian Mulholland
Professor
School of Chemistry
Dr Marc Van der Kamp
Associate Professor in Computational Biochemistry
School of Biochemistry
Professor Anne Roudaut
Professor of Human-Computer Interaction
School of Computer Science
Mr Matthew Sutton
Research Associate
School of Computer Science
Dr Oussama Metatla
Associate Professor of Human Computer Interaction
School of Computer Science