Insight into the structural stability of coumestrol with human estrogen receptor α and β subtypes: a combined approach involving docking and molecular dynamics simulation studies

RSC Advances ◽  
2015 ◽  
Vol 5 (99) ◽  
pp. 81295-81312 ◽  
Author(s):  
Atif Zafar ◽  
Sabahuddin Ahmad ◽  
Imrana Naseem
Keyword(s):  
Molecular Dynamics ◽  
Estrogen Receptor ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Estrogen Receptor Α ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Combined Approach ◽  
Human Estrogen Receptor ◽  
Insight Into

Structural stability of coumestrol with human estrogen receptor α and β subtypes.

Structural stability of insulin aspart in aqueous cholinium aminoate ionic liquids based on molecular dynamics simulation studies

2020 ◽  
pp. 114501
Author(s):  
Vidya Sundaram ◽  
Ramakrishnan Nagasundara Ramanan ◽  
Manikandan Selvaraj ◽  
R. Vijayaraghavan ◽  
Douglas R. MacFarlane ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Structural Stability ◽  
Insulin Aspart ◽  
Dynamics Simulation ◽  
Simulation Studies

Insight into the adsorption profiles of the Saprolegnia monoica chitin synthase MIT domain on POPA and POPC membranes by molecular dynamics simulation studies

2016 ◽  
Vol 18 (7) ◽  
pp. 5281-5290 ◽  
Author(s):  
Guanglin Kuang ◽  
Lijun Liang ◽  
Christian Brown ◽  
Qi Wang ◽  
Vincent Bulone ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulation ◽  
Binding Free Energy ◽  
Binding Mode ◽  
Chitin Synthase ◽  
Dynamics Simulation ◽  
Simulation Methods ◽  
Simulation Studies ◽  
Insight Into

The binding mode and binding free energy of the Saprolegnia monoica chitin synthase MIT domain with the POPA membrane have been studied by molecular simulation methods.

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