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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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Dettagli Bibliografici
Autori principali: Canzar, Stefan, El-Kebir, Mohammed, Pool, René, Elbassioni, Khaled, Mark, Alan E., Geerke, Daan P., Stougie, Leen, Klau, Gunnar W.
Natura: Artigo
Lingua:Inglês
Pubblicazione: Mary Ann Liebert, Inc. 2013
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Accesso online: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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