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Charge Group Partitioning in Biomolecular Simulation

Molecular simulation techniques are increasingly being used to study biomolecular systems at an atomic level. Such simulations rely on empirical force fields to represent the intermolecular interactions. There are many different force fields available—each based on a different set of assumptions and...

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Detalhes bibliográficos
Main Authors: Canzar, Stefan, El-Kebir, Mohammed, Pool, René, Elbassioni, Khaled, Mark, Alan E., Geerke, Daan P., Stougie, Leen, Klau, Gunnar W.
Formato: Artigo
Idioma:Inglês
Publicado em: Mary Ann Liebert, Inc. 2013
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3590896/
https://ncbi.nlm.nih.gov/pubmed/23461571
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1089/cmb.2012.0239
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