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

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

Conference / event / venue 

Multiscale Molecular Modelling: Molecular Dynamics, Computational Statistical Mechanics, and Simulation Algorithms
Edinburgh, Scotland
Wednesday, 30 June, 2010 to Saturday, 3 July, 2010