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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…
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Keywords:
jacobian gaussian;
configurational bias;
monte carlo;
bias monte ... See more keywords