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Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic Lipids
Additive force fields are designed to account for induced electronic polarization in a mean-field average way using effective empirical fixed charges. The limitation of this approximation is cause for serious concerns, particularly in the case of lipid membranes, where the molecular environment unde...
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| Vydáno v: | J Chem Theory Comput |
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| Hlavní autoři: | , , , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2017
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5595662/ https://ncbi.nlm.nih.gov/pubmed/28731702 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00262 |
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