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Electronic continuum model for molecular dynamics simulations of biological molecules

Electronic polarizability is an important factor in molecular interactions. In the conventional force fields such as AMBER or CHARMM, however, there is inconsistency in how the effect of electronic dielectric screening of Coulombic interactions, inherent for the condensed phase media, is treated. Na...

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Detalhes bibliográficos
Main Authors: Leontyev, I. V., Stuchebrukhov, A. A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4213183/
https://ncbi.nlm.nih.gov/pubmed/25364313
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