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"au:"Adrian J. Mulholland"" — arXiv2 Search
Showing 1–6 of 6 results
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Aug 20, 2019
Interactive molecular dynamics in virtual reality for accurate flexible protein-ligand docking
Nov 21, 2023
Free energy along drug-protein binding pathways interactively sampled in virtual reality
Feb 5, 2019
Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework
Feb 8, 2022
Interactivity: the missing link between virtual reality technology and drug discovery pipelines
Aug 22, 2019
IMPRESSION -- Prediction of NMR Parameters for 3-dimensional chemical structures using Machine Learning with near quantum chemical accuracy
Jan 9, 2018
Sampling molecular conformations and dynamics in a multi-user virtual reality framework