Variable-scale coarse-graining in macromolecular global optimization

MaRDI QIDQ4370903zbMATH OpenFDO

Authors David Shalloway

Publication date 7 January 1998

zbMATH Keywords

adiabatic Gaussian density annealingdiffusion equation methodglobal minimizationmacromolecular energy functionspacket annealing methodprotein foldingvariable-scale coarse-graining

Mathematics Subject Classification ID

Numerical mathematical programming methods (65K05) Molecular physics (81V55) Large-scale problems in mathematical programming (90C06) Nonlinear programming (90C30) Applications of mathematical programming (90C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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