Effect of the Reaction Field on Molecular Forces and Torques Revealed by an Image-Charge Solvation Model

We recently developed the Image-Charge Solvation Model (ICSM), which is an explicit/implicit hybrid model to accurately account for long-range electrostatic forces in molecular dynamics simulations [Lin et al., J. Chem. Phys., 131, 154103, 2009]. The ICSM has a productive spherical volume within the...

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Bibliographic Details
Main Authors: Song, Wei, Lin, Yuchun, Baumketner, Andrij, Deng, Shaozhong, Cai, Wei, Jacobs, Donald J.
Format: Artigo
Language:Inglês
Published: 2012
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Article
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC3702192/
https://ncbi.nlm.nih.gov/pubmed/23833681
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