Author

James C. Phillips

University of Illinois Urbana-ChampaignORCID 0000-0002-2296-3591Unclaimed ORCID profile · follow to get notified of new preprints

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Biophysics· 1

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Approach:experimental assay· 1

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Jodi A. Hadden‐PerillaiD· 1 shared Peter Eugene JonesiD· 1 shared Santiago AntolíneziD· 1 shared

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Jodi A. Hadden‐PerillaORCID

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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