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AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids

The AMOEBA polarizable atomic multipole force field for nucleic acids is presented. Valence and electrostatic parameters were determined from high-level quantum mechanical data, including structures, conformational energy and electrostatic potentials, of nucleotide model compounds. Previously derive...

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Dettagli Bibliografici
Pubblicato in:J Chem Theory Comput
Autori principali: Zhang, Changsheng, Lu, Chao, Jing, Zhifeng, Wu, Chuanjie, Piquemal, Jean-Philip, Ponder, Jay W., Ren, Pengyu
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2018
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC5893433/
https://ncbi.nlm.nih.gov/pubmed/29438622
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b01169
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