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Polarizable Multipole-Based Force Field for Dimethyl and Trimethyl Phosphate

[Image: see text] Phosphate groups are commonly observed in biomolecules such as nucleic acids and lipids. Due to their highly charged and polarizable nature, modeling these compounds with classical force fields is challenging. Using quantum mechanical studies and liquid-phase simulations, the AMOEB...

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Veröffentlicht in:J Chem Theory Comput
Hauptverfasser: Zhang, Changsheng, Lu, Chao, Wang, Qiantao, Ponder, Jay W., Ren, Pengyu
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2015
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4768686/
https://ncbi.nlm.nih.gov/pubmed/26574325
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00562
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