Molecular dynamics simulation of a carboxy murine neuroglobin mutated on the proximal side: heme displacement and concomitant rearrangement in loop regions

2009 ◽  
Vol 16 (4) ◽  
pp. 759-770 ◽  
Author(s):  
Jia Xu ◽  
Guowei Yin ◽  
Feijuan Huang ◽  
Baohuai Wang ◽  
Weihong Du
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Proximal Side ◽  
Loop Regions

Flexibility modulates the catalytic activity of a thermostable enzyme: key information from optical spectroscopy and molecular dynamics simulation

Soft Matter ◽  
2020 ◽  
Vol 16 (12) ◽  
pp. 3050-3062
Author(s):  
Pritam Biswas ◽  
Aniruddha Adhikari ◽  
Uttam Pal ◽  
Priya Singh ◽  
Monojit Das ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Catalytic Activity ◽  
Molecular Dynamics Simulation ◽  
Optical Spectroscopy ◽  
Thermostable Enzyme ◽  
Dynamics Simulation ◽  
Temperature Dependent ◽  
Loop Regions ◽  
Beta Glucosidase

The temperature dependent catalytic activity of almond beta-glucosidase controlled by concerted motions of loop regions (LRs).

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