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Journal article [1]
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2022 [1]
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英語English [1]
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ACS Chemical Neu... [1]
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Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations
Journal article
Xiaoli, An, Yuzhen, Niu, Qiong, Yang, Yang, Lei, Yao, Xiaojun, Bing, Zhitong. Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations[J]. ACS Chemical Neuroscience, 2022, 13(23), 3502-3511.
Authors:
Xiaoli, An
;
Yuzhen, Niu
;
Qiong, Yang
;
Yang, Lei
;
Yao, Xiaojun
; et al.
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TC[WOS]:
4
TC[Scopus]:
4
IF:
4.1
/
4.3
|
Submit date：2023/01/30
C5ar1
Free-energy Perturbation (Fep)
Gaussian Accelerated Molecular Dynamics (Gamd) Simulation
Ndt9513727
Pmx53
