scholarly journals Predicting lipid and ligand binding sites in TRPV1 channel by molecular dynamics simulation and machine learning

2021 ◽  
Author(s):  
Wenjun Zheng ◽  
Han Wen
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Ligand Binding ◽  
Binding Sites ◽  
Dynamics Simulation ◽  
Trpv1 Channel ◽  
Ligand Binding Sites

Machine Learning Interatomic Potentials for Global Optimization and Molecular Dynamics Simulation

2019 ◽  
pp. 253-288 ◽  
Author(s):  
Ivan A. Kruglov ◽  
Pavel E. Dolgirev ◽  
Artem R. Oganov ◽  
Arslan B. Mazitov ◽  
Sergey N. Pozdnyakov ◽  
...  
Keyword(s):  
Machine Learning ◽  
Molecular Dynamics ◽  
Global Optimization ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Interatomic Potentials
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