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4th Rhein-Main Molecular Modelling Meeting - 4RM4

Alte Aula der Philipps-Universität Marburg, 13 November 2009, 10 am - 6 pm


Alte Uni im Winter
HIV protease
Kreuzgang der Alten Uni
Nematic phase of coarse-grained rodlike mesogens, small
Alte Aula von innen

Description

The purpose is to gather once a year people with a common interest in molecular modelling from the Rhein-Main area, i.e. Darmstadt, Frankfurt, Gießen, Kassel, Mainz and Marburg, though visitors from farther away are welcome too. The focus is on classical molecular dynamics and Monte Carlo computer simulation of soft condensed matter, but in the spirit of a multi-scale approach the scope extends in one direction to ab initio calculations, in the other to continuum mechanics, and includes docking & drug design. Because of the many foreign scientists the talks are given in English.

Meetings so far:
  1. 11/11/2006 TU Darmstadt
  2. 15/06/2007 MPI-P Mainz
  3. 07/07/2008 FIAS Frankfurt
  4. 13/11/2009 Philipps-Universität Marburg
  5. 07/12/2010 TU Darmstadt
  6. XX/YY/2011 Johannes Gutenberg-Universität Mainz


Program

10.00 Guido Germano Welcome and opening remarks
10.15 Friederike Schmid Coarse-grained modelling of lipid membranes
11.00 Coffee break
11.30 Gerhard Klebe Affinity prediction of protein-ligand complexes: Holy Grail or nightmare?
12.15 Peter Monecke PLANTS - A versatile program for protein-ligand docking
13.00 Lunch break
14.15 Poster session
15.00 Denis Andrienko Towards high charge carrier mobilities by rational design of organic semiconductors
15.45 Coffee break
16.15 Michael C. Böhm Reverse non-equilibrium molecular dynamics simulations on the thermal conductivity and thermal rectification of nanosized materials: general trends and interpretations
17.00 Gernot Frenking Molecules with unusual bonding situations - a challenge for theory and experiment
17.45 End

Registration

There is no registration fee or deadline, but please inform the organiser whether you plan to attend and to present a poster. The poster boards are limited in number and will be reserved for the first who ask. Registered participants.

Venue

Alte Universität, Lahntor 3 (entrance from Reitgasse), 35037 Marburg. Map; pictures and historical information; further pictures of the inside, of the outside from south, and of the outside from north with a few historical notes from a conference in honour of the architect Carl Schäfer.

Travel information

By railway: Trains from Frankfurt arrive at 9.19 and trains from Kassel at 9.34, so there is enough time to take a 20 minutes walk from the station to the old university building through the beautiful historic centre of Marburg, passing along the Elisabethkirche, whose twin towers are visible from the station. Alternatively you can take a bus from "Hauptbahnhof" to "Rudolphsplatz" with the bus lines 1, 6, 7 or C (the ticket costs 1.50€), or of course a taxi.

By car: Exit the motorway B3 at "Marburg Mitte" and turn right twice towards the centre. After half a km the "Erlenring" crosses the Lahn and the old university building is right in front of you. However the entrance is on the back in the pedestrial zone and there is almost no parking place in the vicinity, so after the bridge you must turn right and continue e.g. until a large parking lot in the Uferstraße, a small street on the right 100m after the Cineplex cinema, or drive further around the block on your left after the Cineplex until a 14 storey park house in the Pilgrimstein.

Zuletzt aktualisiert: 08.12.2010 · Guido Germano

 
 
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