Different effects of cholesterol on membrane permeation of arginine and tryptophan revealed by bias-exchange metadynamics simulations
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Title
Different effects of cholesterol on membrane permeation of arginine and tryptophan revealed by bias-exchange metadynamics simulations
Authors
Keywords
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Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 150, Issue 8, Pages 084106
Publisher
AIP Publishing
Online
2019-02-26
DOI
10.1063/1.5082351
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- (2014) Tomasz Róg et al. CHEMISTRY AND PHYSICS OF LIPIDS
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- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
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