A MULTICANONICAL STUDY OF THE PROTEIN FOLDING PROBLEM

Ulrich H.E. Hansmann and Yuko Okamoto
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Ulrich H.E. Hansmann: SCRI, The Florida State University, Tallahassee, FL 32306, USA;
Yuko Okamoto: Dept. of Physics, Nara Women’s University, Nara 630, Japan

International Journal of Modern Physics C (IJMPC), 1994, vol. 05, issue 02, 271-273

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.

Date: 1994
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DOI: 10.1142/S0129183194000301

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