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ICSM: An order N method for calculating electrostatic interactions added to TINKER

We present an order N method for calculating electrostatic interactions that has been integrated into the molecular dynamics portion of the TINKER Molecular Modeling package. This method, introduced in a previous paper [J. Chem. Phys. 131 (2009) 154103] and termed the Image-Charge Solvation Model (I...

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Detalhes bibliográficos
Main Authors: Baker, Katherine, Baumketner, Andrij, Lin, Yuchun, Deng, Shaozhong, Jacobs, Donald, Cai, Wei
Formato: Artigo
Idioma:Inglês
Publicado em: 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3472439/
https://ncbi.nlm.nih.gov/pubmed/23087451
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.cpc.2012.08.003
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