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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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Bibliografski detalji
Glavni autori: Leontyev, I. V., Stuchebrukhov, A. A.
Format: Artigo
Jezik:Inglês
Izdano: 2010
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC4213183/
https://ncbi.nlm.nih.gov/pubmed/25364313
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