scholarly journals Molecular Dynamics Simulations Reveal a Novel Mechanism for ATP Inhibition of Insulin Degrading Enzyme

2014 ◽  
Vol 54 (5) ◽  
pp. 1380-1390 ◽  
Author(s):  
Carlos H. B. da Cruz ◽  
Gustavo Seabra
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Insulin Degrading Enzyme ◽  
Degrading Enzyme ◽  
Atp Inhibition ◽  
Dynamics Simulations

Reaction Mechanism of the PET Degrading Enzyme PETase Studied with DFT/MM Molecular Dynamics Simulations

ACS Catalysis ◽  
2021 ◽  
pp. 11626-11638
Author(s):  
Carola Jerves ◽  
Rui P. P. Neves ◽  
Maria J. Ramos ◽  
Saulo da Silva ◽  
Pedro A. Fernandes
Keyword(s):  
Molecular Dynamics ◽  
Reaction Mechanism ◽  
Molecular Dynamics Simulations ◽  
Degrading Enzyme ◽  
Dynamics Simulations
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