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Monte Carlo Approach to Biopolymers and Protein Folding

December 3-5, 1997
HLRZ, Forschungszentrum Jülich, Germany

The main emphasis of the workshop was on protein folding. This is widely recognized as one of the main problems in biological physics. But related fields have also been 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 was 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 was to find out whether progress in Monte Carlo methods ultimately allows to determine the structure of large proteins from their amino acid sequences. Topics which have been 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.

Organizing Committee:

P. Grassberger, HLRZ
W. Nadler, HLRZ
G. Barkema, HLRZ

Proceedings:

A book containing all contributions is available from the publisher World Scientific Publishing Co. Pte. Ltd., ISBN 9810236581.


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