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2021 [1]
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英語English [1]
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Expert Opinion o... [1]
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The prediction of protein–ligand unbinding for modern drug discovery
Journal article
Zhang, Qianqian, Zhao, Nannan, Meng, Xiaoxiao, Yu, Fansen, Yao, Xiaojun, Liu, Huanxiang. The prediction of protein–ligand unbinding for modern drug discovery[J]. Expert Opinion on Drug Discovery, 2021, 17(2), 191-205.
Authors:
Zhang, Qianqian
;
Zhao, Nannan
;
Meng, Xiaoxiao
;
Yu, Fansen
;
Yao, Xiaojun
; et al.
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TC[WOS]:
11
TC[Scopus]:
13
IF:
6.0
/
6.6
|
Submit date：2023/01/30
Binding Free Energy
Dissociation Rate Constant
Enhanced Sampling Methods
Machine Learning
Molecular Dynamic Simulation
Protein–ligand Unbinding
Residence Time
Unbinding Pathways
