Multicoordinate Driven Method for Approximating Enzymatic Reaction Paths:  Automatic Definition of the Reaction Coordinate Using a Subset of Chemical Coordinates†

2006 ◽  
Vol 110 (2) ◽  
pp. 772-778 ◽  
Author(s):  
Imre Berente ◽  
Gábor Náray-Szabó
Keyword(s):  
Enzymatic Reaction ◽  
Reaction Coordinate ◽  
Reaction Paths ◽  
Definition Of

Snapshots along an Enzymatic Reaction Coordinate:  Analysis of a Retaining β-Glycoside Hydrolase†,‡

Biochemistry ◽  
1998 ◽  
Vol 37 (34) ◽  
pp. 11707-11713 ◽  
Author(s):  
Gideon J. Davies ◽  
Lloyd Mackenzie ◽  
Annabelle Varrot ◽  
Miroslawa Dauter ◽  
A. Marek Brzozowski ◽  
...  
Keyword(s):  
Glycoside Hydrolase ◽  
Enzymatic Reaction ◽  
Reaction Coordinate

Finding reaction paths using the potential energy as reaction coordinate

2008 ◽  
Vol 128 (10) ◽  
pp. 104102 ◽  
Author(s):  
Antoni Aguilar-Mogas ◽  
Xavier Giménez ◽  
Josep Maria Bofill
Keyword(s):  
Potential Energy ◽  
Reaction Coordinate ◽  
Reaction Paths

Intrinsic reaction coordinate calculations for reaction paths possessing branching points

1989 ◽  
Vol 160 (5-6) ◽  
pp. 543-548 ◽  
Author(s):  
Enric Bosch ◽  
Miquel Moreno ◽  
José M. Lluch ◽  
Juan Bertrán
Keyword(s):  
Reaction Coordinate ◽  
Intrinsic Reaction Coordinate ◽  
Reaction Paths ◽  
Branching Points
Sign in / Sign up

Export Citation Format

Share Document