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)

Related Items (9)

A review of recent advances in global optimization ⋮ An improved hybrid global optimization method for protein tertiary structure prediction ⋮ Global optimization advances in mixed-integer nonlinear programming, MINLP, and constrained derivative-free optimization, CDFO ⋮ Retracted: Modified hybrid algorithm for process optimization ⋮ Deterministic global optimization in ab-initio quantum chemistry ⋮ Arbitrarily tight \(\alpha \mathrm{BB}\) underestimators of general non-linear functions over sub-optimal domains ⋮ A generalization of the classical \(\alpha \)BB convex underestimation via diagonal and nondiagonal quadratic terms ⋮ Stochastic protein folding simulation in the three-dimensional HP-model ⋮ Hybridizing exact methods and metaheuristics: a taxonomy

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

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