Binding modes and conformational changes of FK506-binding protein 51 induced by inhibitor bindings: insight into molecular mechanisms based on multiple simulation technologies

Author:

chen Jianzhong1ORCID,Yin Baohua2,Pang Laixue1,Wang Wei1,Zhang John Z. H.34ORCID,Zhu Tong34ORCID

Affiliation:

1. School of Science, Shandong Jiaotong University, Jinan, China;

2. School of Pharmacy, Shandong University of Traditional Chinese Medicine, Jinan, China;

3. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, China;

4. Shanghai Engineering Research Center of Molecular Therapeutics & New Drug Development, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai, China

Funder

Ministry of Science and Technology of China

National Natural Science Foundation of China

Innovation Program of Shanghai Municipal Education Commission

NYU Global Seed Grant

Shandong Provincial Natural Science Foundation

Shandong Province Higher Educational Science and Technology Program

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

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