Title : Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling.

Pub. Date : 2016 Mar 7

PMID : 26957155






1 Functional Relationships(s)
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1 We further applied it to examine the design of template molecules for aromatic meta-C-H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues. Proline kininogen 1 Homo sapiens