Generalized simulated annealing algorithms using Tsallis statistics: Application to conformational optimization of a tetrapeptide
- 1 April 1996
- journal article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 53 (4) , R3055-R3058
- https://doi.org/10.1103/physreve.53.r3055
Abstract
A Monte Carlo simulated annealing algorithm based on the generalized entropy of Tsallis is presented. The algorithm obeys detailed balance and reduces to a steepest descent algorithm at low temperatures. Application to the conformational optimization of a tetrapeptide demonstrates that the algorithm is more effective in locating low energy minima than standard simulated annealing based on molecular dynamics or Monte Carlo methods.Keywords
This publication has 23 references indexed in Scilit:
- Extracting the Energy Barrier Distribution of a Disordered System from the Instantaneous Normal Mode Density of States: Applications to Peptides and ProteinsThe Journal of Physical Chemistry, 1994
- Dynamics in Rugged Energy Landscapes with Applications to the S-Peptide and Ribonuclease AJournal of the American Chemical Society, 1994
- Theoretical probes of conformational fluctuations in S‐peptide and RNase A/3′–UMP enzyme product complexProteins-Structure Function and Bioinformatics, 1993
- Exploring the energy landscape in proteins.Proceedings of the National Academy of Sciences, 1993
- The Energy Landscapes and Motions of ProteinsScience, 1991
- Conformational Substates in ProteinsAnnual Review of Biophysics, 1988
- Optimization by Simulated AnnealingScience, 1983
- Simulation methods for protein structure fluctuationsBiopolymers, 1980
- On a novel Monte Carlo scheme for simulating water and aqueous solutionsChemical Physics Letters, 1978
- Equation of State Calculations by Fast Computing MachinesThe Journal of Chemical Physics, 1953