Author

Peter Eugene Jones

University of DelawareORCID 0000-0003-1795-2051Unclaimed ORCID profile · follow to get notified of new preprints

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Approach:experimental assay· 1

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James C. PhillipsiD· 1 shared Jodi A. Hadden‐PerillaiD· 1 shared Santiago AntolíneziD· 1 shared

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James C. PhillipsORCID

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1 paper

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BiophysicsJournal of Chemical Information and ModelingPeer-reviewedJan 4, 2024

AMBERff at scale: Multimillion-atom simulations with AMBER force fields in NAMD

Santiago Antolínez, Peter Eugene Jones, James C. Phillips, Jodi A. Hadden‐Perilla

The paper presents an implementation of AMBERff in NAMD enabling high-performance, massively-parallel simulations up to two billion atoms with accuracy comparable to AMBERff's native engine.

29 citations

experimental assay

𝕏 PostBluesky