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Atomistic Simulations in Medicinal Chemistry & Biology at Newcastle University

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Force Fields at the CCPBioSim Annual Training Week

Posted on 30th December 2025 by Daniel

It's ligand-focussed day at the #CCPBioSim training week, and we've been using @openforcefield.org & @openmm.org to parameterise and run protein-ligand MD, and @mdanalysis.bsky.social & ProLIF for analysis! #compchem

— Cole Group (@colegroupncl.bsky.social) 2025-10-15T16:29:04.957Z
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