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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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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Zhang, Changsheng, Lu, Chao, Wang, Qiantao, Ponder, Jay W., Ren, Pengyu
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2015
Acesso em linha: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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