Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changes

Published 2015 View Full Article

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Title
Molecular dynamics simulation of a cucurbituril based molecular switch triggered by pH changes
Authors
Keywords
Cucurbit[, n, ]uril, Simulations, Molecular switches, MM-PBSA
Journal
Computational and Theoretical Chemistry
Volume 1066, Issue -, Pages 104-112
Publisher
Elsevier BV
Online
2015-05-21
DOI
10.1016/j.comptc.2015.05.010

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