Exploring the stability of inhibitor binding to SIK2 using molecular dynamics simulation and binding free energy calculation

Volume: 23, Issue: 23, Pages: 13216 - 13227
Published: Jan 1, 2021
Abstract
The detailed interactions between SIK2 and four inhibitors, HG-9-91-01, KIN112, MRT67307, and MRT199665, were studied using molecular docking, molecular dynamics simulation, binding free energy calculation, and interaction fingerprint...
Paper Details
Title
Exploring the stability of inhibitor binding to SIK2 using molecular dynamics simulation and binding free energy calculation
Published Date
Jan 1, 2021
Volume
23
Issue
23
Pages
13216 - 13227
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