An application of a global optimization parametrization method on macromolecular structure problem

DOI10.1016/J.AMC.2007.03.070MaRDI QIDQ990575zbMATH OpenOpenAlexFDO

Authors Xin-Wei Lu, Kecun Zhang

Publication date 1 September 2010

Published in Applied Mathematics and Computation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.amc.2007.03.070

zbMATH Keywords

global optimizationmacromolecular structure predictionparametrization auxiliary function approachpotential energy problem

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Biochemistry, molecular biology (92C40)

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Cites work

• A function to test methods applied to global minimization of potential energy of molecules
• A stochastic/perturbation global optimization algorithm for distance geometry problems
• Distance geometry optimization for protein structures
• Efficient algorithms for large scale global optimization: Lennard-Jones clusters
• Fast global optimization of difficult Lennard-Jones clusters
• Global Continuation for Distance Geometry Problems
• Global minimum potential energy conformations of small molecules
• Global optimization for molecular clusters using a new smoothing approach
• Molecular conformation on the CM-5 by parallel two-level simulated annealing
• Solving large scale molecular distance geometry problems by a smoothing technique via the Gaussian transform and D.C. programming

Cited in

(5)

• A global optimization method for the molecular replacement problem in X-ray crystallography
• Global optimization for molecular conformation problems
• Optimizing an empirical scoring function for transmembrane protein structure determination
• Automated parameterization of intermolecular pair potentials using global optimization techniques
• scientific article; zbMATH DE number 1552035 (Why is no real title available?)

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