A new class of hybrid global optimization algorithms for peptide structure prediction: integrated hybrids

DOI10.1016/S0010-4655(02)00735-XzbMath1196.90134OpenAlexW2015318411MaRDI QIDQ709368

M. J. Pieja, Christodoulos A. Floudas, John L. Klepeis

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/s0010-4655(02)00735-x

Mathematics Subject Classification ID

Chemistry (92E99) Applications of mathematical programming (90C90)

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Uses Software

• CHARMM
• alphaBB

Cites Work

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• Optimization by Simulated Annealing
• The application of the genetic algorithm to the minimization of potential energy functions
• Global minimum potential energy conformations of small molecules
• Efficient parallel algorithms in global optimization of potential energy functions for peptides, proteins, and crystals
• \(\alpha BB\): A global optimization method for general constrained nonconvex problems
• Deterministic global optimization. Theory, methods and applications