HLRZ-Workshop on MC-Approach to Biopolymers and Protein Folding

Walter Nadler nadler at hlrserv.hlrz.kfa-juelich.de
Mon Sep 29 16:02:18 EST 1997



                       HLRZ-Workshop on

             Monte Carlo Approach to Biopolymers 
                     and Protein Folding 
     
     Forschungszentrum J"ulich (KFA), 3 - 5 December 1997


The HLRZ Supercomputing Center in J"ulich has a tradition of 
organizing an annual international workshop on an important topic 
to which Computational Physics makes a major contribution. After 
"Supercomputers in Brain Research" (1994), "Traffic and Granular 
Flow" (1995), "Friction, Arching, Contact Dynamics" (1996), this 
year the topic will be "Monte Carlo Approach to Biopolymers and 
Protein Folding". 

The main emphasis will be on protein folding. This is widely recognized
as one of the main problems in biological physics. But related fields
will also be covered, ranging from supercoiling of DNA and simulations
of semi-dilute solutions of homopolymers to relaxation in glassy
systems. From the technical side, the main emphasis will be on Monte
Carlo simulations. Traditionally, the field of protein folding is
dominated by Molecular Dynamics simulations. Monte Carlo methods are
less constrained in the possible moves, and recent years have seen a
steady stream of novel methods which actually exploit this freedom.
One purpose of the workshop will be to find out whether progress in
Monte Carlo methods will ultimately allow to determine the structure of
large proteins from their amino acid sequences. Topics which will be
discussed include therefore algorithms for simulating equilibrium and
nonequilibrium problems, actual simulations of model and realistic
biopolymers, theories of folding pathways, determinations of effective
potentials, statistical concepts derived from disordered systems, and
data-based approaches to protein folding.

Invited speakers are:

H.-S. Chan, P. Derreumaux, E. Domany, D. Frenkel, W.F. van Gunsteren,
U. Hansmann, D. Hoffmann, A. Irbaeck, M. Karplus, A. Kolinski, 
W. Krauth, E. Marinari, H. Meirovitch, H. Orland, A.Z. Panagiotopoulos, 
E. Shakhnovich, D. Thirumalai, R. Zimmer

Participants are invited to present their research at a poster session.



Organizers: Peter Grassberger
            Gerard T. Barkema
            Walter Nadler
            HLRZ c/o Forschungszentrum J"ulich
            D-52425 J"ulich, Germany
            E-mails: grass, barkema, nadler at hlrz.kfa-juelich.de
            Tel.: +49-2461-61-2326, -2315, -2526

Conference Secretary: 
           Helga Bongartz
           HLRZ c/o Forschungszentrum J"ulich
           D-52425 J"ulich, Germany
           E-mail: h.bongartz at kfa-juelich.de
           Tel.: +49-2461-613893
           FAX:  +49-2461-612430

There is a fee of DM 100.- for the workshop, to be paid after arrival,
which covers also the costs for the workshop proceedings.

The latest update of this announcement, together with an online 
registration form, can found at the URL 
http://www.hlrz.kfa-juelich.de/HLRZ/Workshops.html





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