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机译:基于极化力场的Trp笼的折叠和热力学研究
State Key Laboratory of Precision Spectroscopy and Department of Physics Institute of Theoretical and Computational Science East China Normal University Shanghai China;
Division of Chemistry and Biological Chemistry School of Physical and Mathematical Sciences Nanyang Technological University Singapore 637371 Singapore;
Division of Chemistry and Biological Chemistry School of Physical and Mathematical Sciences Nanyang Technological University Singapore 637371 Singapore;
Division of Chemistry and Biological Chemistry School of Physical and Mathematical Sciences Nanyang Technological University Singapore 637371 Singapore;
State Key Laboratory of Precision Spectroscopy and Department of Physics Institute of Theoretical and Computational Science East China Normal University Shanghai China;
Division of Chemistry and Biological Chemistry School of Physical and Mathematical Sciences Nanyang Technological University Singapore 637371 Singapore;
MFCC; Trp-cage; PPC; Charge update;
机译:基于极化力场的Trp笼的折叠和热力学研究
机译:带有RSFF2力场的复制交换MD模拟的五个Trp笼变体的折叠热力学和机理
机译:利用新型AMBER兼容力场和耦合主链扭转力对Trp笼进行折叠模拟
机译:基于第一原理DFT计算的离子液体的先进的不可极化力场:开发和运输性能的应用
机译:基于半经典电子的极化和反应力场的各方面
机译:使用双力场方法实现固定电荷效率下的极化AMOEBA热力学:在有机晶体中的应用
机译:可极化和不可极化的力田:蛋白质折叠,展开和错误折叠
机译:NamD:基于可极化力场的生物分子系统大规模经典mD模拟引擎。 aLCF-2早期科学计划技术报告。