Learning reaction coordinates for enhanced sampling directly using atomic positions

Subarna Sasmal; Martin McCullagh; Glen M. Hocky

doi:10.1016/j.bpj.2022.11.1869

Learning reaction coordinates for enhanced sampling directly using atomic positions

Subarna Sasmal, Martin McCullagh, Glen M. Hocky

Chemistry

Research output: Contribution to journal › Article › peer-review

Original language	English (US)
Pages (from-to)	335a
Journal	Biophysical journal
Volume	122
Issue number	3S1
DOIs	https://doi.org/10.1016/j.bpj.2022.11.1869
State	Published - Feb 10 2023

ASJC Scopus subject areas

Biophysics

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10.1016/j.bpj.2022.11.1869

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title = "Learning reaction coordinates for enhanced sampling directly using atomic positions",

author = "Subarna Sasmal and Martin McCullagh and Hocky, {Glen M.}",

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JO - Biophysical Journal

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Learning reaction coordinates for enhanced sampling directly using atomic positions

ASJC Scopus subject areas

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