2000/09/08 by Yuji Sugita, Yuko Okamoto · 1 citation
Biochemistry, Genetics and Molecular Biology · Mathematics · Physics and Astronomy · #Markov Chains and Monte Carlo Methods #Protein Structure and Dynamics #Theoretical and Computational Physics #cond-mat.stat-mech #q-bio
paper · pdf · doi:10.1016/s0009-2614(00)00999-4
9 pages, (ReVTeX), 7 figures. Chem. Phys. Lett. (2000), in press
arxiv created 2000/09/08 · openalex publication_date 2000/10/01 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We propose two efficient algorithms for configurational sampling of systems with rough energy landscape. The first one is a new method for the determination of the multicanonical weight factor. In this method a short replica-exchange simulation is performed and the multicanonical weight factor is obtained by the multiple-histogram reweighting techniques. The second one is a further extension of the first in which a replica-exchange multicanonical simulation is performed with a small number of replicas. These new algorithms are particularly useful for studying the protein folding problem.