E. Pauwels

An REMD and QM/MM study into the sequence effect on asparagine deamidation

E. Pauwels, S.L. Moors, J. Felix, S.N. Savvides, M. Waroquier, V. Van Speybroeck, S. Catak

p. 9-10

Talk

Conference / event / venue

Enhancing Organocatalysis by Joining Advanced Theorectical and Experimental Approches

Lugano, Zwitseland

Wednesday, 13 June, 2012 to Friday, 15 June, 2012

Improving spin-(other)-orbit contributions to the g-tensor in a periodic DFT approach

A. Van Yperen-De Deyne, E. Pauwels, V. Van Speybroeck, M. Waroquier

P37

Poster

Conference / event / venue

DFTM2012

Ghent University, Het Pand, Ghent, Belgium

Sunday, 1 April, 2012 to Friday, 6 April, 2012

Effect of the (n +1) residue on peptide deamidation

S. Catak, J. Felix, V. Van Speybroeck, M. Waroquier, E. Pauwels

Talk

Conference / event / venue

ACS Spring 2012 National Meeting & Exposition

San Diego, USA

Sunday, 25 March, 2012 to Thursday, 29 March, 2012

UV-VIS spectra of azo dyes in aqueous environment: a combined TD-DFT and molecular dynamics study

T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck

P8

Poster

Conference / event / venue

DFTM2012

Gent, Belgium

Sunday, 1 April, 2012 to Friday, 6 April, 2012

Study of structure-function relationships in interleukin 34, a novel cytokine

J. Felix, J. Elegheert, N. Bracke, A. Shkumatov, E. Pauwels, S.N. Savvides

p.

Poster

Conference / event / venue

2nd Belgian Biophysical Society Young Scientist Day

Ghent Belgium

Tuesday, 31 May, 2011

Seeing the molecules - using DFT calculations and periodic boundary conditions

S.G. Aalbergsjø, E. Pauwels, E.O. Hole, E. Sagstuen

p.

Talk

Conference / event / venue

Kongsvold Biophysics Meeting 2012

Kongsvold, Norway

Thursday, 15 March, 2012 to Saturday, 17 March, 2012

The pH-sensitive properties of azo dyes in aqueous environment

T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck

Poster

Conference / event / venue

QCB10

Brussel

Friday, 10 February, 2012

The pH-sensitive properties of azo dyes in aqueous environment

T. De Meyer, K. Hemelsoet, L. Van der Schueren, E. Pauwels, K. De Clerck, V. Van Speybroeck

http://www.cecam.org/workshop-3-699.html?poster_id=7740

Poster

Conference / event / venue

Molsim2012

Amsterdam

Monday, 9 January, 2012 to Friday, 20 January, 2012

Influence of protein environment on the EPR properties of flavine radicals: a QM/MM study

E. Pauwels, T. Verstraelen, B. De Sterck, C.W.M. Kay, V. Van Speybroeck, M. Waroquier

/

Poster

Conference / event / venue

5th symposium on Theoretical Biophysics (TheoBio 2011)

Madeira, Portugal

Wednesday, 8 June, 2011 to Sunday, 12 June, 2011

Density Functional Calculations on Alanine-Derived Radicals: Influence of Molecular Environment on EPR Hyperfine Coupling Constants

E. Pauwels, V. Van Speybroeck, P. Lahorte, M. Waroquier

Poster

Conference / event / venue

Spectroscopie en Theorie

Lunteren, The Netherlands

Monday, 29 January, 2001 to Tuesday, 30 January, 2001

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