Minimizing variance of reaction rate estimation in weighted ensemble simulation using synthetic molecular dynamics

Won Hee Ryu; John Russo; Mats S. Johnson; Jeffrey P. Thompson; David N. LeBard; Gideon Simpson; David Aristoff; Robert J. Webber; Jeremy T. Copperman; Daniel M. Zuckerman

doi:10.1016/j.bpj.2022.11.2289

Minimizing variance of reaction rate estimation in weighted ensemble simulation using synthetic molecular dynamics

Won Hee Ryu, John Russo, Mats S. Johnson, Jeffrey P. Thompson, David N. LeBard, Gideon Simpson, David Aristoff, Robert J. Webber, Jeremy T. Copperman, Daniel M. Zuckerman

Biomedical Engineering

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

Original language	English (US)
Pages (from-to)	422a-423a
Journal	Biophysical Journal
Volume	122
Issue number	3S1
DOIs	https://doi.org/10.1016/j.bpj.2022.11.2289
State	Published - Feb 10 2023

ASJC Scopus subject areas

Biophysics

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10.1016/j.bpj.2022.11.2289

Cite this

@article{b639c28718d840d9a167ec0970e1bbea,

title = "Minimizing variance of reaction rate estimation in weighted ensemble simulation using synthetic molecular dynamics",

author = "{Hee Ryu}, Won and John Russo and Johnson, {Mats S.} and Thompson, {Jeffrey P.} and LeBard, {David N.} and Gideon Simpson and David Aristoff and Webber, {Robert J.} and Copperman, {Jeremy T.} and Zuckerman, {Daniel M.}",

year = "2023",

month = feb,

day = "10",

doi = "10.1016/j.bpj.2022.11.2289",

language = "English (US)",

volume = "122",

pages = "422a--423a",

journal = "Biophysical Journal",

issn = "0006-3495",

publisher = "Biophysical Society",

number = "3S1",

}

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T1 - Minimizing variance of reaction rate estimation in weighted ensemble simulation using synthetic molecular dynamics

AU - Hee Ryu, Won

AU - Russo, John

AU - Johnson, Mats S.

AU - Thompson, Jeffrey P.

AU - LeBard, David N.

AU - Simpson, Gideon

AU - Aristoff, David

AU - Webber, Robert J.

AU - Copperman, Jeremy T.

AU - Zuckerman, Daniel M.

PY - 2023/2/10

Y1 - 2023/2/10

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U2 - 10.1016/j.bpj.2022.11.2289

DO - 10.1016/j.bpj.2022.11.2289

M3 - Article

C2 - 36784157

AN - SCOPUS:85148057090

SN - 0006-3495

VL - 122

SP - 422a-423a

JO - Biophysical Journal

JF - Biophysical Journal

IS - 3S1

ER -

Minimizing variance of reaction rate estimation in weighted ensemble simulation using synthetic molecular dynamics

ASJC Scopus subject areas

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