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  5. Electrostatic-multipole-based Force Fields for Coarse-grained Simulations of Protein

Electrostatic-multipole-based Force Fields for Coarse-grained Simulations of Protein

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户：pandaab
【摘 要】
：
In present work,we proposed two generic electrostaticmultipole-based force fields for protein coarse-grained(CG)simulations,respectively,namely two-bead multipole force field(TMFF)and point-dipole-bas
【作 者】
：
Min Li Fengjiao Liu John Zenghui Zhang 
【机 构】
：
School of Chemistry and Molecular Engineering and Department of Physics,East China Normal University
【出 处】
：
第十三届全国量子化学会议
【发表日期】
：
2017年10期
【关键词】
：
coarse-grained model force field electric multipole molecular dynamic 
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　　In present work,we proposed two generic electrostaticmultipole-based force fields for protein coarse-grained(CG)simulations,respectively,namely two-bead multipole force field(TMFF)and point-dipole-based coarse-grained(PD-CG)force field.
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