DFT-based Elucidation of Asparagine Deamidation in Peptides and Proteins
Talk
Conference / event / venue
Quantum Chemistry in Belgium 9th edition (QCB9)
Louvain-la-Neuve, Belgium
Tuesday, 26 January, 2010
V. Van Speybroeck
QM metadynamics study on asparagine deamidation in proteins
Talk
Conference / event / venue
ACS Spring 2010 National Meeting & Exposition
San Francisco, California, USA
Wednesday, 17 March, 2010 to Thursday, 25 March, 2010
Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations as a model for amide hydrolysis in proteins
Talk
Conference / event / venue
ACS Spring 2010 National Meeting & Exposition
San Francisco, California, USA
Wednesday, 17 March, 2010 to Thursday, 25 March, 2010
First principle kinetics in zeolitic materials
Talk
Conference / event / venue
13th International Conference on Theoretical Aspects of Catalysis
Matsushima, Japan
Monday, 21 June, 2010 to Friday, 25 June, 2010
Ab initio study of the growth of fused bicyclic species within a zeolite-type catalyst: the influence of confinement and material composition
691-692
ISBN: 9788889976296
Talk
Conference / event / venue
IZC-IMMS 2010
Sorrento, Italy
Sunday, 4 July, 2010 to Friday, 9 July, 2010
Crystalline Fe under TPa pressures: simple or complex?
Talk
Conference / event / venue
International Conference on Advanced Materials Modeling (ICAMM 2010)
Institut des Matériaux Jean Rouxel, Université de Nantes, France
Thursday, 8 July, 2010 to Saturday, 10 July, 2010
First principle kinetic studies of zeolite-catalyzed methylation reactions: towards kinetic accuracy for rate constants
Talk
Conference / event / venue
1st International Workshop of the European Nanoporous Materials Institut e of Excellence (ENMIX)
Antwerp, Belgium
Monday, 4 October, 2010 to Tuesday, 5 October, 2010
QM Metadynamics Study on Peptide Deamidation
Talk
Conference / event / venue
Chemical Physics Congress-IX
Cesme, Izmir, Turkey
Thursday, 14 October, 2010 to Saturday, 16 October, 2010
Efficient calculation of QM/MM frequencies with the Mobile Block Hessian method
Talk
Conference / event / venue
North American Meeting on Industrial and Applied Mathematics (NAMIAM)
Huatulco, Mexico
Monday, 6 December, 2010 to Saturday, 11 December, 2010
Calculation of hydrocarbon bond dissociation energies in a computationally efficient way
Talk
Conference / event / venue
ICCMSE 2004
Attica, Greece
Friday, 19 November, 2004 to Tuesday, 23 November, 2004
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