J'erome H'enin, T. Lelièvre, M. Shirts, O. Valsson, L. Delemotte
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引用次数: 66
摘要
分子动力学模拟的增强采样方法[文章v1.0]Jérôme Hénin1,2*，Tony Lelièvre3*，Michael r.Shirts4*，Omar Valsson5,6*，Lucie Delemotte7*1Laboratoire de Biochimie Théorique UPR 9080，CNRS，法国巴黎；2生物物理学院-埃德蒙德·罗斯柴尔德基金会，法国巴黎；3CERMICS，Ecole des Ponts，INRIA，Marne la Vallée，法国；4科罗拉多大学博尔德分校化学与生物工程系，美国科罗拉多州博尔德市，80309；5北德克萨斯大学化学系，美国德克萨斯州丹顿；6马克斯·普朗克聚合物研究所，德国美因茨；7KTH皇家理工学院生命科学实验室，瑞典斯德哥尔摩
Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]
Enhanced sampling methods for molecular dynamics simulations [Article v1.0] Jérôme Hénin1,2*, Tony Lelièvre3*, Michael R. Shirts4*, Omar Valsson5,6*, Lucie Delemotte7* 1Laboratoire de Biochimie Théorique UPR 9080, CNRS, Paris, France; 2Institut de Biologie Physico-Chimique–Fondation Edmond de Rothschild, Paris, France; 3CERMICS, Ecole des Ponts, INRIA, Marne-la-Vallée, France; 4Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, CO, USA, 80309; 5University of North Texas, Department of Chemistry, Denton, TX, USA; 6Max Planck Institute for Polymer Research, Mainz, Germany; 7KTH Royal Institute of Technology, Science for Life Laboratory, Stockholm, Sweden
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