537251 Automatic Construction of Collective Variables for Metadynamics Simulations of Drug Permeation through Lipid Membranes

Fikret Aydin, Jessica M. J. Swanson and Gregory A. Voth, Department of Chemistry, The University of Chicago, Chicago, IL
See more of this Session: Industrial Applications of Computational Chemistry and Molecular Simulation
See more of this Group/Topical: Computational Molecular Science and Engineering Forum