Accelerated Construction of Kinetic Network Model of Biomolecules Using Steered Molecular Dynamics.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b00398
Abstract: A new class of rare event acceleration techniques based on steered molecular dynamics (SMD) simulations is introduced. A stretching force applied on a biomolecule causes it to access large end-to-end distances. Under these conditions the… read more here.
Keywords: force conditions; molecular dynamics; master msm; model ... See more keywords