Probing Difference in Binding Modes of Inhibitors to MDMX by Molecular Dynamics Simulations and Different Free Energy Methods

Open Access

Peer-reviewed

Research Article

Shuhua Shi ,

* E-mail: sdsfhf@sdjzu.edu.cn; sdshishuhua@126.com

Affiliation School of Science, Shandong Jianzhu University, Jinan, China
⨯
Shaolong Zhang,

Affiliation College of Physics and Electronics, Shandong Normal University, Jinan, China
⨯
Qinggang Zhang

Affiliation College of Physics and Electronics, Shandong Normal University, Jinan, China
⨯

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Free energy
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Crystal structure
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van der Waals force
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Binding analysis
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Molecular dynamics
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Solvation
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Biochemical simulations
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Hydrogen bonding
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