Improving the Efficiency of Configurational-Bias Monte Carlo: Extension of the Jacobian-Gaussian Scheme to Interior Sections of Cyclic and Polymeric Molecules.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00478
Abstract: The Jacobian-Gaussian method, which has recently been developed for generating bending angle trials, is extended to the conformational sampling of inner segments of a long chain or cyclic molecule where regular configurational-bias Monte Carlo was… read more here.
Keywords: jacobian gaussian; configurational bias; monte carlo; bias monte ... See more keywords