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Article

Force Field X: A computational microscope to study genetic variation and organic crystals using theory and experiment.

The Journal of chemical physics - 7 Jul 2024

Gogal Rose A, Nessler Aaron J, Thiel Andrew C, Bernabe Hernan V, Corrigan Grove Rae A, Cousineau Leah M, Litman Jacob M, Miller Jacob M, Qi Guowei, Speranza Matthew J, Tollefson Mallory R, Fenn Timothy D, Michaelson Jacob J, Okada Okimasa, Piquemal Jean-Philip, Ponder Jay W, Shen Jana, Smith Richard J H, Yang Wei, Ren Pengyu, Schnieders Michael J

Abstract excerpt

Force Field X (FFX) is an open-source software package for atomic resolution modeling of genetic variants and organic crystals that leverages advanced potential energy functions and experimental data. FFX currently consists of nine modular packages with novel algorithms that include global optimization via a many-body expansion, acid-base chemistry using polarizable constant-pH molecular dynamics, estimation of...

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Identifiers

PMID: 38958156
DOI: 10.1063/5.0214652
PMCID: PMC11223778

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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