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
woensdag, 30 juni, 2010 t/m zaterdag, 3 juli, 2010