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Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations

Molecular dynamics simulations of biomolecules have been widely adopted in biomedical studies. As classical point-charge models continue to be used in routine biomolecular applications, there have been growing demands on developing polarizable force fields for handling more complicated biomolecular...

詳細記述

保存先:
書誌詳細
出版年:J Chem Phys
主要な著者: Wei, Haixin, Qi, Ruxi, Wang, Junmei, Cieplak, Piotr, Duan, Yong, Luo, Ray
フォーマット: Artigo
言語:Inglês
出版事項: AIP Publishing LLC 2020
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC7502018/
https://ncbi.nlm.nih.gov/pubmed/32962395
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0019560
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