Docking, molecular dynamics and QM/MM studies to delineate the mode of binding of CucurbitacinE to F-actin

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Title
Docking, molecular dynamics and QM/MM studies to delineate the mode of binding of CucurbitacinE to F-actin
Authors
Keywords
Actin depolymerization, Cucurbitacin, DFT simulation, Motional correlation, Quantum mechanics
Journal
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
Volume 63, Issue -, Pages 29-37
Publisher
Elsevier BV
Online
2015-11-24
DOI
10.1016/j.jmgm.2015.11.007

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