Dimeric phosphorylation of glyoxalase I alters its symmetry and substrate binding mechanism: simulation studies

2021 ◽  
pp. 1-15
Author(s):  
Lisa Michelle Barber ◽  
Zakir Hussain ◽  
Merlin Thomas ◽  
Andrew Hung
Keyword(s):  
Substrate Binding ◽  
Glyoxalase I ◽  
Simulation Studies ◽  
Binding Mechanism

Molecular basis of P450 OleTJE: an investigation of substrate binding mechanism and major pathways

2017 ◽  
Vol 31 (5) ◽  
pp. 483-495 ◽  
Author(s):  
Juan Du ◽  
Lin Liu ◽  
Li Zhong Guo ◽  
Xiao Jun Yao ◽  
Jian Ming Yang
Keyword(s):  
Molecular Basis ◽  
Substrate Binding ◽  
Binding Mechanism

Molecular dynamics insights into the structure, function, and substrate binding mechanism of mucin desulfating sulfatase of gut microbe Bacteroides fragilis

2018 ◽  
Vol 119 (4) ◽  
pp. 3618-3631 ◽  
Author(s):  
Ardhendu Bhusan Praharaj ◽  
Budheswar Dehury ◽  
Namita Mahapatra ◽  
Shantanu Kumar Kar ◽  
Santosh Kumar Behera
Keyword(s):  
Molecular Dynamics ◽  
Structure Function ◽  
Substrate Binding ◽  
Bacteroides Fragilis ◽  
Binding Mechanism ◽  
Gut Microbe

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.

scholarly journals 1I1445 MD simulation study of a specific substrate binding mechanism of Btk's PH domain.

2002 ◽  
Vol 42 (supplement2) ◽  
pp. S50
Author(s):  
T. Ishida ◽  
S. Nakamura ◽  
I. Wakamatsu ◽  
Y. Fukui ◽  
K. Shimizu
Keyword(s):  
Simulation Study ◽  
Md Simulation ◽  
Substrate Binding ◽  
Specific Substrate ◽  
Binding Mechanism ◽  
Ph Domain
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