Workshop: Molecular Simulation of Transport Phenomena in Chemistry and Biology 2009

October 8, Saarland University, Saarbruecken, Germany

Saarland University

Organization Program Registration Location/Travel Accomodation

Sponsored by:

Bundesministerium für Bildung und Forschung (BMBF) BMBF

Saarland University UdS

Organization:

Chair: Volkhard Helms Co-Chair: Haiping Fang

Universität des Saarlandes                                                             Shanghai Institute of Applied Physics
Zentrum für Bioinformatik                                                              Chinese Academy Sciences
Saarbrücken, Germany                                                                  Shanghai, China
Tel: +49 681 302 64165
Fax: +49 681 302 64180
Email:                                                                                          Email:
volkhard.helms@bioinformatik.uni-saarland.de                               fanghaiping@sinap.ac.cn

Secretary:
Kerstin Gronow-Pudelek
Universität des Saarlandes
Zentrum für Bioinformatik
Gebäude 17.1
Postfach 15 11 50
66041 Saarbrücken
Germany
Tel: +49 681 302 64164
Fax: +49 681 302 64180
Email: kerstin.gronow-p@bioinformatik.uni-saarland.de

Program:

	October 8, 2009, building C6 3, HS II (E.10)
9:00	Volkhard Helms	Welcome
	*Chemical and biomolecular proton transfer processes*
9:15	Ram Devanathan (Pacific Northwest National Laboratory, Richland, USA)	Water network percolation and proton hopping in the nanopores of nafion membrane
9:45	Marcus Elstner (Universität Karlsruhe)	Simulation of proton transport and excited states properties in retinal proteins using QMMM methods
10:15	Wei Gu (Universität des Saarlandes)	Proton transport in decorated carbon nanotubes
10:45 - 11:15	Coffee break
	*Polymer dynamics and electron transfer*
11:15	Elena Algaer (Technische Universität Darmstadt)	Thermal conductivity of polymer materials by nonequilibrium molecular dynamics simulation
11:45	Thorsten Koslowski (Universität Freiburg)	Charge transfer in DNA and in complex I
12:15	Tihamér Geyer (Universität des Saarlandes)	Brownian dynamics simulation of peptide dynamics with efficient hydrodynamic interactions
13:00 – 14:30	Lunch break
	Permeation through nanopores
14:30	Haiping Fang (SINAP Institute for Applied Physics, Shanghai)	Gating and pumping of water transporation across nanoscale channels inspired by Aquaprins
15:00	Ulrich Kleinekathöfer (Jacobs-Universtität, Bremen)	Ion and substrate transport through membrane pores and transporters
15:30 - 16:00	Coffee break
16:00	Bert de Groot (Max-Planck-Institut für biophysikalische Chemie, Göttingen)	Molecular mechanisms underlying selectivity, gating and inhibition in aquaporins
16:30	Rainer Böckmann (Universität des Saarlandes)	Ion permeation through the membrane channel Gramicidin

Registration:

Attendance at the workshop will be free of charge.
For planning purposes, we ask all persons planning to attend to send an informal e-mail to
Mrs. Kerstin Gronow-Pudelek before Oct. 4, 2009. Only those who have registered in this way will be served during the coffee breaks and the catered lunch.

Location/Travel:

The campus of Saarland University is located in a forest east of the city of Saarbrücken.

To reach Saarbrücken

* by car:

from north direction Trier via highway (Autobahn) A1

from east direction Kaiserslautern via highway (Autobahn) A6

from west direction Luxembourg via highway (Autobahn) A620

from direction Metz/Paris or Strasbourg via highway (Autobahn) A4/E50

* by train and bus:

take train (DB) to Saarbrücken Hbf, then take bus No. 124 from Saarbrücken Hbf

in direction “Universität Busterminal” and get off at “Universität Busterminal”

Accomodation:

Hotel accomodation has been arranged for all invited speakers. We kindly ask other participants to organize their accomodation by themselves. Mrs. Kerstin Gronow-Pudelek can make some recommendations if needed.

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Workshop: Molecular Simulation of Transport Phenomena in Chemistry and Biology 2009

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