scholarly journals Catalytic Mechanism of Amyloid-β Peptide Degradation by Insulin Degrading Enzyme: Insights from Quantum Mechanics and Molecular Mechanics Style Møller–Plesset Second Order Perturbation Theory Calculation

2018 ◽  
Vol 58 (9) ◽  
pp. 1926-1934 ◽  
Author(s):  
Rui Lai ◽  
Wei-Jen Tang ◽  
Hui Li
Keyword(s):  
Perturbation Theory ◽  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Catalytic Mechanism ◽  
Amyloid Β ◽  
Amyloid Β Peptide ◽  
Insulin Degrading Enzyme ◽  
Moller Plesset ◽  
Theory Calculation ◽  
Second Order Perturbation Theory

Many-Body Perturbation Theory Extended to the Quantum Mechanics/Molecular Mechanics Approach: Application to Indole in Water Solution

2009 ◽  
Vol 5 (7) ◽  
pp. 1822-1828 ◽  
Author(s):  
Adriano Mosca Conte ◽  
Emiliano Ippoliti ◽  
Rodolfo Del Sole ◽  
Paolo Carloni ◽  
Olivia Pulci
Keyword(s):  
Perturbation Theory ◽  
Quantum Mechanics ◽  
Molecular Mechanics ◽  
Water Solution ◽  
Many Body ◽  
Many Body Perturbation Theory

A QM/MM study of the catalytic mechanism of succinic semialdehyde dehydrogenase from Synechococcus sp. PCC 7002 and Salmonella typhimurium

RSC Advances ◽  
2015 ◽  
Vol 5 (123) ◽  
pp. 101672-101682 ◽  
Author(s):  
Jing Zhang ◽  
Yongjun Liu
Keyword(s):  
Quantum Mechanics ◽  
Salmonella Typhimurium ◽  
Molecular Mechanics ◽  
Catalytic Mechanism ◽  
Succinic Semialdehyde ◽  
Succinic Semialdehyde Dehydrogenase ◽  
Semialdehyde Dehydrogenase ◽  
Synechococcus Sp

The catalytic mechanism of succinic semialdehyde dehydrogenase (SSADH) has been studied using a combined quantum mechanics and molecular mechanics (QM/MM) approach.

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