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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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Bibliografische gegevens
Gepubliceerd in:J Chem Theory Comput
Hoofdauteurs: Zhang, Changsheng, Lu, Chao, Wang, Qiantao, Ponder, Jay W., Ren, Pengyu
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: American Chemical Society 2015
Online toegang: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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