Steered Molecular Dynamics Simulations Reveal the Likelier Dissociation Pathway of Imatinib from Its Targeting Kinases c-Kit and Abl

Open Access

Peer-reviewed

Research Article

Li-Jun Yang,

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Jun Zou,

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Huan-Zhang Xie,

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Lin-Li Li,

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Yu-Quan Wei,

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Sheng-Yong Yang

* E-mail: yangsy@scu.edu.cn

Affiliation State Key Laboratory of Biotherapy and Cancer Center, West China Medical School, Sichuan University, West China Hospital, Chengdu, People's Republic of China
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Biochemical simulations
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Kinase inhibitors
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Protein kinases
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Crystal structure
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Molecular dynamics
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Protein structure
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Biophysical simulations
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Tyrosine kinases
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