Preliminary Program
Monday, September 21
Registration & Lunch (1:00-2:00 pm)
Session 1 (2:00 – 3:50 pm): Biomolecular simulation
- 2:00 – 2:10 Opening remarks
- 2:10 – 3:00 Cecilia Clementi, Houston Prediction of protein functional states by multi-resolution protein
modeling - 3:00 – 3:25 Jakob Schluttig, Heidelberg Stochastic dynamics of protein assembly
- 3:25 – 3:50 Iris Antes, Munich Efficient sampling and scoring algorithms for protein and drug design
Coffee break
Session 2 (4:30 – 6:35 pm): QM and QM/MM
- 4:30 – 4:55 Gerrit Groenhof, Göttingen Computer simulations of photobiological processes: the effect of the protein environment
- 4:55 – 5:20 Walter Thiel, Mülheim a.d.R. Boundary potentials in hybrid QM/MM methods
- 5:20 – 5:45 Christian Ochsenfeld, Tübingen Quantum Chemistry for Molecules with 1000 and More Atoms
- 5:45 – 6:10 Marcus Böckmann , Bochum Nonadiabatic Multiscale Simulation of Photoswitchable Materials
Dinner (6:30-7:30 pm)
Poster Session
Tuesday, September 22
Session 3 (9:00 – 10:40 am): Biological systems / Membranes
- 9:00 – 9:50 Reinhard Lipowsky, Potsdam Multi-Scale Behavior of Biomimetic Membranes
- 9:50 – 10:40 Friederike Schmid, Mainz Coarse-grained simulations of phase transitions and lipid-protein interactions in lipid membranes
Coffee break
Session 4 (11:15 – 12:30): Biomolecular Simulation II
- 11:15 – 11:40 Holger Stark, Berlin Modeling the Response of Bacterial Flagella to External Forces
- 11:40 – 12:05 Roland G. Winkler, Jülich Mesoscale Simulation of Bacteria Locomotion
- 12:05 – 12:30 Gero Wedemann, Stralsund Computer simulations of chromatin fibers
- 12:30 - 12:55 Alexey Zaikin, London Application of mathematical methods to modelling of 20S proteasome function and analysis of proteasomal degradation data
Lunch
Session 5 (2:30 - 4:35 pm): Soft Matter
- 2:30 – 3:20 Marcus Müller, Göttingen Measuring free energies of self-assembled structures by computer simulation
- 3:20 – 3:45 Peter Hänggi, Augsburg Entropic Particle Transport
- 3:45 – 4:10 Owen A. Hickey, Stuttgart Electrophhoretic mobility of short polymer chains
- 4:10 – 4:35 Ramin Golestanian, Sheffield From Microswimmers to Nanoswimmers: The Role of Fluctuations
5 pm: Bus Departure to Sektkellerei Kupferberg
Evening: Conference Dinner
Wednesday, September 23
Session 6 (9:00 – 10:40 am): Methods
- 9:00 – 9:50 Eric Vanden-Eijnden, New York Methods for free energy exploration and calculation
- 9:50 – 10:15 Matej Praprotnik, Ljubljana Adaptive Resolution Scheme AdResS: Basic Principles and Applications
- 10:15 – 10:40 A.C. Maggs, Paris Collective dispersion forces in condensed-matter simulations
Coffee break
Session 7 (11:15 – 12:40 am) Biomolecular Simulation III
- 11:15 – 12:05 Helmut Grubmüller Göttingen Tba
- 12:05 – 12:30 Francois Nedelec, Heidelberg Cytosim, a modular simulation of the cytoskeleton
- 12:30 – 12:40 Closing remarks