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
Monday, 31 August, 2009 to Friday, 4 September, 2009