Dutch Molecular Dynamics Meeting

4 November 2010

This meeting aims at bringing together researchers working on (bio) Molecular Dynamics in the Netherlands, following the Dutch saying: "Beter een goede buur dan een verre vriend" (Beter a good neighbor than a far friend). Colleagues from the groups of Prof. Bolhuis (Amsterdam), Prof. Hilbers (Eindhoven) and Prof. Marrink (Groningen) will give an overview of the work done in their groups. However, participation is open for researchers from other groups as well.


10.30 Registration and coffee/tea
11.00 Welcome/tea
11.05 Kristen Marino (UvA)
Trp-cage folding in confinement
11.25 Pablo Englebienne (TUE)
Simulation of polymer nanoparticles exhibiting supramolecular collapse
11.45 Andrzej Rzepiela (RUG)
Efficient algorithms for Langevin and DPD dynamics
12.05 Grisell Diaz Leines (UvA)
Path-metadynamics: escaping free energy minima on a string
12.25 Lunch
13.15 Bram van Hoof (TUE)
A coarse grained molecular dynamics study of self-reproduction of fatty acid vesicles
13.35 Igor S. Santos de Oliveira (UT)
Simulations of spherical particles in viscoelastic fluids
13.55 Murat Kilic (UvA)
Redox properties of aqueous lumiflavin - a first principles molecular dynamics study
14.15 Sander Smeijers (TUE)
14.35 Lars V. Schafer (RUG)
Sorting of membrane peptides between different membrane domains
14.55 Coffee/tea
15.20 Lizhe Zhu (UvA)
Exploring signal transduction of HAMP domain via Molecular Dynamics and Metadynamics
15.40 Alexey V. Lyulin (TUE)
Scale Jumping in Computer Simulations of Polymers: from chemical scales to macromechanics
16.00 Manuel Nuno Mele (RUG)
CG modelling of alamethicin action: coercing the formation of a barrel-stave pore
16.20 Ana Celia Vila Verde (AMOLF)
Understanding how biomolecules influence water structure and dynamics: mapping changes in rotational anisotropy, density fluctuations and hydrogen bond exchange mechanism around disaccharides
16.40 Close
16.45 Drinks