Towards Binding Mechanism of Cu2+ on Creatine Kinase from Pelodiscus sinensis: Molecular Dynamics Simulation Integrating Inhibition Kinetics Study

2017 ◽  
Vol 24 (6) ◽  
Author(s):  
Yan Cai ◽  
Jinhyuk Lee ◽  
Wei Wang ◽  
Yong-Doo Park ◽  
Guo-Ying Qian
Keyword(s):  
Molecular Dynamics ◽  
Creatine Kinase ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Kinetics Study ◽  
Binding Mechanism ◽  
Inhibition Kinetics ◽  
Pelodiscus Sinensis

Effect of Ba2+ on the activity and structure of α-glucosidase: Inhibition kinetics and molecular dynamics simulation

2015 ◽  
Vol 50 (4) ◽  
pp. 582-588 ◽  
Author(s):  
Xuan Li ◽  
Zhi-Rong Lü ◽  
Wei Wang ◽  
Xiu Ping Han ◽  
Jun-Mo Yang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Inhibition Kinetics

Molecular recognition of bio-active flavonoids quercetin and rutin by bovine hemoglobin: an overview of the binding mechanism, thermodynamics and structural aspects through multi-spectroscopic and molecular dynamics simulation studies

2018 ◽  
Vol 20 (33) ◽  
pp. 21668-21684 ◽  
Author(s):  
Sourav Das ◽  
Nikita Bora ◽  
Mostofa Ataur Rohman ◽  
Raju Sharma ◽  
Anupam Nath Jha ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Recognition ◽  
Computational Analysis ◽  
Dynamics Simulation ◽  
Bovine Hemoglobin ◽  
Simulation Studies ◽  
Binding Mechanism ◽  
Structural Aspects

A spectroscopic and computational analysis of the interactions of two bio-active flavonoids with bovine hemoglobin (BHb) has been carried out.

Sign in / Sign up

Export Citation Format

Share Document