Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals

DOI10.1016/S0010-4655(99)00515-9zbMath0953.92003MaRDI QIDQ1578195

Harold A. Scheraga, Cezary Czaplewski, Kenneth D. Gibson, Yelena Arnautova, Jarosław Pillardy, Jooyoung Lee, Daniel R. Ripoll, Adam Liwo, Ryszard J. Wawak

Publication date: 29 January 2001

Published in: Computer Physics Communications (Search for Journal in Brave)

zbMATH Keywords

global optimization Monte Carlo methods genetic algorithms parallel algorithms protein structure prediction crystal structure prediction

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Biochemistry, molecular biology (92C40) Biophysics (92C05) Parallel numerical computation (65Y05) Computational methods for problems pertaining to biology (92-08)

Related Items (5)

An improved hybrid global optimization method for protein tertiary structure prediction ⋮ Local search based heuristics for global optimization: atomic clusters and beyond ⋮ CONCORD: a consensus method for protein secondary structure prediction via mixed integer linear optimization ⋮ A new class of hybrid global optimization algorithms for peptide structure prediction: integrated hybrids ⋮ Infinite ground state degeneracy and glassy dynamics in the frustrated \(XY\) model and lattice Coulomb gas with \(f=1/6\)

Uses Software

Algorithm 611

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