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A polarizable-charge transfer force field(QPCT) has been proposed to accurately describe the interaction dynamics of zinc–protein complexes.
Force Field Development and Fragment based Ab Initio Molecular Dynamic Simulation for MetalloProtein
【摘 要】
：
A polarizable-charge transfer force field(QPCT) has been proposed to accurately describe the interaction dynamics of zinc–protein complexes.
【机 构】
：
CollegeofChemistryandMolecularEngineering,EastChinaNormalUniversity,Shanghai,200062,China;NYU-ECNUCe
【出 处】
：
第十五届全国化学动力学会议
【发表日期】
：
2017年8期
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