Exploring the Catalytic Mechanism of Alkanesulfonate Monooxygenase Using Molecular Dynamics

Biochemistry ◽  
2014 ◽  
Vol 53 (20) ◽  
pp. 3308-3317 ◽  
Author(s):  
Kira Armacost ◽  
Jonathan Musila ◽  
Symon Gathiaka ◽  
Holly R. Ellis ◽  
Orlando Acevedo
Keyword(s):  
Molecular Dynamics ◽  
Catalytic Mechanism ◽  
Alkanesulfonate Monooxygenase

Unraveling cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations

2021 ◽  
Author(s):  
Jordi Soler ◽  
Pedro Paiva ◽  
Maria Joao Joao Ramos ◽  
Pedro Alexandrino Fernandes ◽  
Marie Brut
Keyword(s):  
Molecular Dynamics ◽  
Dna Binding ◽  
Molecular Dynamics Simulations ◽  
Cyclic Gmp ◽  
Catalytic Mechanism ◽  
System P ◽  
Dynamics Simulations ◽  
Cyclic Dinucleotide

Cyclic GMP-AMP Synthase (cGAS) is activated upon DNA binding and catalyzes the synthesis of 2’,3’-cGAMP from GTP and ATP. This cyclic dinucleotide is a messenger that triggers the autoimmune system...

scholarly journals Catalytic Mechanism of Guanine Deaminase:  An ONIOM and Molecular Dynamics Study

2007 ◽  
Vol 111 (16) ◽  
pp. 4200-4210 ◽  
Author(s):  
Lishan Yao ◽  
Robert I. Cukier ◽  
Honggao Yan
Keyword(s):  
Molecular Dynamics ◽  
Catalytic Mechanism ◽  
Guanine Deaminase

How Processive Enzymes Work: the Application of Molecular Dynamics Simulation to Study the Catalytic Mechanism

2012 ◽  
Vol 42 (8) ◽  
pp. 603-612
Author(s):  
LuShan WANG ◽  
LongQiang PAN ◽  
Bin HUANG ◽  
CunLiang GENG ◽  
PeiJi GAO ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Catalytic Mechanism ◽  
Dynamics Simulation
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