S. Catak

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

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

Modeling Ring-chain-ring Tautomerization of N-(o-aryl)-4-Hydroxy-2-oxazolidinone Derivatives

A. Yıldırım, A. Konuklar, S. Catak, V. Van Speybroeck, M. Waroquier, I. Doğan, V. Aviyente
Abstract PII 141
Poster

Conference / event / venue 

Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela, Spain
Sunday, 17 July, 2011 to Friday, 22 July, 2011

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