Parallel Sessions - Session V: Spin Systems and Statistical MechanicsNo Access

A MULTICANONICAL STUDY OF THE PROTEIN FOLDING PROBLEM

ULRICH H.E. HANSMANN

SCRI, The Florida State University, Tallahassee, FL 32306, USA

Dept. of Physical Sciences, Embry-Riddle Aeronautical University, Daytona Beach, FL 32771, USA

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and

YUKO OKAMOTO

Dept. of Physics, Nara Women’s University, Nara 630, Japan

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https://doi.org/10.1142/S0129183194000301Cited by:1 (Source: Crossref)

Abstract

Applications of the multicanonical ensemble for the protein folding problem are presented. Performing simulations of this ensemble alleviates the multiple-minima problem and allows to calculate thermodynamical quantities at any temperature from only one Monte Carlo run.

This research project was partially funded by the Department of Energy under contracts DE-FG05–87ER40319, DE-FC05–85ER2500 and by MK Industries, Inc.