Insights into the structure-affinity relationships and solvation effects between OfHex1 and inhibitors using molecular dynamics simulations

Title
Insights into the structure-affinity relationships and solvation effects between OfHex1 and inhibitors using molecular dynamics simulations
Authors
Keywords
Of, Hex1, Inhibitor, Isomerization, Solvation effect, MM/GBSA
Journal
Publisher
Elsevier BV
Online
2019-03-28
DOI
10.1016/j.jmgm.2019.03.022

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