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Workshop on computer simulations of soft matter and biosystems


Schedule

Below you see the program of the workshop, which can also be downloaded in pdf format here.

The final version of the book of abstracts can be downloaded here (version from March 19 2007).

 

Wednesday, March 14th

Thursday, March 15th

Friday, March 16th

09.00-10.00

 

KL 2: Prof. Wilfred van Gunsteren

Methods to simulate biomolecular systems

KL 4: Prof. Jeremy Smith

Dynamics of Protein Binding, Reaction, and Structural Change

10.00-10.30

 

Prof. Walter Thiel

Correlated ab initio QM/MM studies of enzymes

Dr. Francois Nedelec

Modelling Microtubules Structures

10.30-11.00

 

Prof. Reinhold Fink

New ab initio multi configuration approaches designed for QM/MM applications

Dr. Alexey Zaikin

Proteamalg: a new tool for in vitro digestion assay performed by 20S immunoprotasome and PA28

11.00-11.30

 

Coffee

Coffee

11.30-12.00

 

PD Nikos Doltsinis

Photoisomerisation in liquid azobenzene studied by nonadiabatic QM/MM simulations

Dr. Esa Kuusela

Cytoplasm and integrin dynamics in a 2D continuum model for cell migration

12.00-12.30

 

Dr. Christine Peter

Classical simulations from the atomistic to the mesoscale: coarse-graining an azobenzene containing liquid crystal

Dr. Björn Nadrowski

The physics of an ear

12.30-13.00

Arrival Meal

Lunch
Conference Photo 13.45

Dr. Ulrike Bischler
PD Ulrich Schwarz

Closing Remarks

13.30-14.00

PD Ulrich Schwarz,
Dr. Indra Willms-Hoff,
Prof. Willi Jäger

Welcome

 

14.00-15.00

 

KL 1: Prof. Alan Mark

Self-assembly of Peptides and Membranes

KL 3: Prof. Gerhard Gompper

Soft Matter Hydrodynamics

 

15.00-15.30

Prof. Helmut Grubmüller

Collective motions of biological macromolecules

Jens Smiatek and Ulf D. Schiller

A new way of implementing partial slip boundary conditions

 

15.30-16.00

Dr. Kei Moritsugu

Langevin Model of Protein Dynamics

Kai Grass

Electrohydrodynamics in bulk and in confined geometries

 

16.00-16.30

Coffee

Coffee

 

16.30-17.00

Prof. Martin Zacharias

Nucleic acid and peptide conformation studied by molecular dynamics and advanced sampling methods

Dr. Anthony Maggs

Aspects of fluctuation potentials in dielectrics

 

17.00-17.30

Dr. Nick Kepper

Modeling Chromatin Fibers I: Effect of Nucleosome Geometry

PD Dirk Hennig

Cooperative escape dynamics of nonlinear oscillator chains

 

17.30-18.00

Prof. Gero Wedemann

Modeling chromatin fibers 2: effects of interactions between nucleosomes

Dr. Ilona D. Kosinska

Transport in nanopores

 

18.00-18.30

Jakob Schluttig

Modelling large protein clusters

 

 

18.30-19.00

Poster Introductions

 

 

19.00

Postersession + Dinner

Dinner

 

21.00

Visit to BIOQUANT building

 

 


Last update 03/19/2007 by JS

IWR VolkswagenStiftung BIOMS

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