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20222024
most citedMartinize2 and Vermouth: Unified Framework for Topology Generation

38 citations · 58 across the 5 of their papers we have counts for

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physics.chem-ph2023★ 14 cited

Free energy along drug-protein binding pathways interactively sampled in virtual reality

Helen M. Deeks, Kirill Zinovjev, Jonathan Barnoud +3

We describe a two-step approach for combining interactive molecular dynamics in virtual reality (iMD-VR) with free energy (FE) calculation to explore the dynamics of biological pro…