The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins

Development of the AMOEBA (Atomic Multipole Optimized Energetics for Biomolecular Simulation) force field for proteins is presented. The current version (AMOEBA-2013) utilizes permanent electrostatic multipole moments through the quadrupole at each atom, and explicitly treats polarization effects in...

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Main Authors: Shi, Yue, Xia, Zhen, Zhang, Jiajing, Best, Robert, Wu, Chuanjie, Ponder, Jay W., Ren, Pengyu
Format: Artigo
Jezik:Inglês
Izdano: 2013
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Article
Online dostop:https://ncbi.nlm.nih.gov/pmc/articles/PMC3806652/
https://ncbi.nlm.nih.gov/pubmed/24163642
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4003702
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