Current Status of the AMOEBA Polarizable Force Field

Molecular force fields have been approaching a generational transition over the past several years, moving away from well-established and well-tuned, but intrinsically limited, fixed point charge models towards more intricate and expensive polarizable models that should allow more accurate descripti...

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Hauptverfasser: Ponder, Jay W., Wu, Chuanjie, Ren, Pengyu, Pande, Vijay S., Chodera, John D., Schnieders, Michael J., Haque, Imran, Mobley, David L., Lambrecht, Daniel S., DiStasio, Robert A., Head-Gordon, Martin, Clark, Gary N. I., Johnson, Margaret E., Head-Gordon, Teresa
Format: Artigo
Sprache:Inglês
Veröffentlicht: 2010
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Article
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2918242/
https://ncbi.nlm.nih.gov/pubmed/20136072
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp910674d
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