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2020 ◽  
Vol 60 (6) ◽  
pp. 3255-3264
Author(s):  
Shengjie Liu ◽  
Xinyu Zhou ◽  
Minglei Li ◽  
Wenfeng Zhao ◽  
Shuxi Zhou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Dynamics Simulation ◽  
Specific Protease ◽  
Ubiquitin Specific Protease ◽  
Novel Scaffold

Identification of fosaprepitant as a novel GSTP1 inhibitor through structure-based virtual screening, molecular dynamics simulation, and biological evaluation

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Author(s):  
Hao Lin ◽  
Wenxiu Sun ◽  
Tao Zeng ◽  
Hengda Li ◽  
Chenming Xu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Therapeutic Agents ◽  
Dynamics Simulation ◽  
Glutathione S Transferase ◽  
Promising Target ◽  
Cancer Cell Survival ◽  
Prevention And Therapy

Glutathione S-transferase P1 (GSTP1) is a promising target for cancer prevention and therapy, particularly because of its involvement in promoting cancer cell survival and resistance of tumors to therapeutic agents....

Identification of novel CDK 9 inhibitors based on virtual screening, molecular dynamics simulation, and biological evaluation

Life Sciences ◽  
2020 ◽  
Vol 258 ◽  
pp. 118228
Author(s):  
Mingfei Wu ◽  
Jianfei Han ◽  
Zhicheng Liu ◽  
Yilong Zhang ◽  
Cheng Huang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Virtual Screening ◽  
Biological Evaluation ◽  
Dynamics Simulation
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