Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations as a model for amide hydrolysis in proteins

B. De Sterck, S. Catak, M. Waroquier, V. Van Speybroeck
Poster

Conference / event / venue 

13th International Conference on the Applications of Density Functional Theory in Chemistry and Physics (DFT09)
Lyon, France
maandag, 31 augustus, 2009 t/m vrijdag, 4 september, 2009