Open AccessConstant pH Coarse-Grained Molecular Dynamics with Stochastic Charge Neutralization
Author(s) -
Alexander van Teijlingen,
Hamish W. A. Swanson,
King Hang Aaron Lau,
Tell Tuttle
Publication year - 2022
Publication title -
the journal of physical chemistry letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.563
H-Index - 203
ISSN - 1948-7185
DOI - 10.1021/acs.jpclett.2c00544
Subject(s) - molecular dynamics , statistical physics , monte carlo method , electrostatics , charge (physics) , neutralization , constant (computer programming) , ewald summation , field (mathematics) , titration , computer science , chemical physics , chemistry , computational chemistry , physics , mathematics , quantum mechanics , statistics , pure mathematics , antibody , immunology , biology , programming language
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