scholarly journals 2P579 Development of effective computer-aided drug design strategy by combining molecular docking and molecular dynamics simulation(55. Drug design and delivery,Poster Session,Abstract,Meeting Program of EABS &BSJ 2006)

2006 ◽  
Vol 46 (supplement2) ◽  
pp. S440
Author(s):  
Noriaki Okimoto ◽  
Atsushi Suenaga ◽  
Noriyuki Futatsugi ◽  
Ryoko Yanai ◽  
Tetsu Narumi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Drug Design ◽  
Poster Session ◽  
Design Strategy ◽  
Dynamics Simulation ◽  
Computer Aided Drug Design ◽  
Meeting Program ◽  
Computer Aided

scholarly journals 3D-QSAR, molecular docking, and molecular dynamics simulation study of thieno[3,2-b]pyrrole-5-carboxamide derivatives as LSD1 inhibitors

RSC Advances ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 6927-6943 ◽  
Author(s):  
Yongtao Xu ◽  
Zihao He ◽  
Hongyi Liu ◽  
Yifan Chen ◽  
Yunlong Gao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Drug Design ◽  
Simulation Study ◽  
3D Qsar ◽  
Dynamics Simulation ◽  
Computer Aided Drug Design ◽  
Computer Aided ◽  
Potential Activity

Novel LSD1 inhibitors with potential activity are designed using a series of computer-aided drug design methods.

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