Department of Engineering Mechanics Zhejiang University Hangzhou 310027 China;
Department of Mechanical Engineering The University of Hong Kong Hong Kong SAR China;
Computational Biology Center IBM Thomas J.Watson Research Center 1101 Kitchawan Road Yorktown Heights New York 10598 USA;
steered molecular dynamics simulations; protein-carbon nanotube complex; rupture force; binding energy; nanotoxicity;
机译:通过操纵分子动力学模拟研究了葡萄糖与人肺表面活性物质D的结合
机译:尼古丁与乙酰胆碱结合蛋白的解除结合:分子动力学模拟
机译:通过操纵分子动力学和伞状采样模拟从人类端粒G-四链体上解离配体的分子机理
机译:碳纳米管森林碳纳米管森林纱线形成的数百万完全原子分子动力学模拟碳纳米管林纱线形成的全百万个全原子分子动力学模拟
机译:使用分子动力学模拟在水/碳纳米管界面处对nano-1肽进行构象研究。
机译:β-N-乙酰基-d-己糖胺酶抑制剂解链途径的计算研究:分子动力学模拟的启示
机译:从GAPDH和LDH释放NAD的操纵分子动力学模拟