Iterative convex quadratic approximation for global optimization in protein docking

DOI10.1007/S10589-005-4799-4MaRDI QIDQ2490366zbMATH OpenOpenAlexFDO

Authors Roummel F. Marcia, Julie C. Mitchell, J. B. Rosen

Publication date 2 May 2006

Published in Computational Optimization and Applications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10589-005-4799-4

zbMATH Keywords

global optimizationpotential energyprotein dockingconvex underestimatordocking mesh evaluator

Mathematics Subject Classification ID

Quadratic programming (90C20) Methods of successive quadratic programming type (90C55) Applications of mathematical programming (90C90)

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• scientific article; zbMATH DE number 1101487

Cites work

• scientific article; zbMATH DE number 1101487 (Why is no real title available?)
• Accurate solution to overdetermined linear equations with errors using \(L_1\) norm minimization
• Convex quadratic approximation
• `` Direct Search Solution of Numerical and Statistical Problems

Cited in

(8)

• Global minimization of difference of quadratic and convex functions over box or binary constraints
• Unified global optimality conditions for smooth minimization problems with mixed variables
• Global optimization in protein docking using clustering, underestimation and semidefinite programming
• Global optimality conditions for cubic minimization problems with cubic constraints
• Global optimization of protein-peptide docking by a filling function method
• Global optimality of quadratic minimization over symmetric polytopes
• Approximating data in \({\mathbb R}^{n}\) by a quadratic underestimator with specified Hessian minimum and maximum eigenvalues
• Multi-funnel optimization using Gaussian underestimation

Describes a project that uses

Uses Software

• NPSOL
• APBS

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