Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0]

By J'erome H'enin, Tony Lelièvre, Michael R. Shirts, Omar Valsson, Lucie Delemotte. Living journal of computational molecular science, 2022

294 citations recorded by the source corpus.

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

Subfields: Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/d2332e7ef219c698df466547f211a6c18e94781b