Mixed quantum-classical simulation of the hydride transfer reaction catalyzed by dihydrofolate reductase based on a mapped system-harmonic bath model

2018 ◽  
Vol 148 (10) ◽  
pp. 102322 ◽  
Author(s):  
Yang Xu ◽  
Kai Song ◽  
Qiang Shi
Keyword(s):  
Dihydrofolate Reductase ◽  
Transfer Reaction ◽  
Hydride Transfer ◽  
Classical Simulation ◽  
Hydride Transfer Reaction ◽  
Harmonic Bath

scholarly journals Cycloruthenated Compounds as Efficient Catalyst for Asymmetric Hydride Transfer Reaction

ChemInform ◽  
2006 ◽  
Vol 37 (30) ◽  
Author(s):  
Jean-Baptiste Sortais ◽  
Laurent Barloy ◽  
Claude Sirlin ◽  
Andre H. M. de Vries ◽  
Johannes G. de Vries ◽  
...  
Keyword(s):  
Transfer Reaction ◽  
Hydride Transfer ◽  
Efficient Catalyst ◽  
Hydride Transfer Reaction

Rescuing of the hydride transfer reaction in the Glu312Asp variant of choline oxidase by a substrate analogue

2010 ◽  
Vol 499 (1-2) ◽  
pp. 1-5 ◽  
Author(s):  
Osbourne Quaye ◽  
Tranbao Nguyen ◽  
Swathi Gannavaram ◽  
Andrea Pennati ◽  
Giovanni Gadda
Keyword(s):  
Transfer Reaction ◽  
Hydride Transfer ◽  
Choline Oxidase ◽  
Substrate Analogue ◽  
Hydride Transfer Reaction

A hydride transfer reaction from salts of carbanions to activated olefins

Tetrahedron ◽  
1995 ◽  
Vol 51 (1) ◽  
pp. 317-328 ◽  
Author(s):  
Ben-Ami Feit ◽  
Sarit Shapira ◽  
Amatzya Herbst
Keyword(s):  
Transfer Reaction ◽  
Hydride Transfer ◽  
Activated Olefins ◽  
Hydride Transfer Reaction
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