Potential charge transfer probe induced conformational changes of model plasma protein human serum albumin: Spectroscopic, molecular docking, and molecular dynamics simulation study

Biopolymers ◽  
2012 ◽  
Vol 97 (10) ◽  
pp. 766-777 ◽  
Author(s):  
Sankar Jana ◽  
Sasanka Dalapati ◽  
Shalini Ghosh ◽  
Nikhil Guchhait
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Charge Transfer ◽  
Molecular Dynamics Simulation ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Conformational Changes ◽  
Simulation Study ◽  
Dynamics Simulation

Molecular Dynamics Simulation and Binding Studies of β-Sitosterol with Human Serum Albumin and Its Biological Relevance

2010 ◽  
Vol 114 (27) ◽  
pp. 9054-9062 ◽  
Author(s):  
Babu Sudhamalla ◽  
Mahesh Gokara ◽  
Navjeet Ahalawat ◽  
Damu G. Amooru ◽  
Rajagopal Subramanyam
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Human Serum Albumin ◽  
Serum Albumin ◽  
Human Serum ◽  
Dynamics Simulation ◽  
Binding Studies ◽  
Biological Relevance
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