scientific article; zbMATH DE number 841188

zbMATH Open0834.92012MaRDI QIDQ4863352FDOQ4863352

Authors: Jaroslaw Kostrowicki, Harold A. Scheraga 

Publication date: 4 February 1996

Title of this publication is not available (Why is that?)

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zbMATH Keywords

entropyglobal minimumminimum free energymultiple-minima problempair interactionsdiffusion equation methodconformation energymost stable structurepolypeptide chain

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) Biochemistry, molecular biology (92C40) Nonlinear programming (90C30) Heat equation (35K05) Biophysics (92C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cited In (14)

• Computational Science – ICCS 2005
• FOLDING FREE ENERGY LANDSCAPE OF THE DECAPEPTIDE CHIGNOLIN
• Renormalized Hamiltonian for a peptide chain: digitalizing the protein folding problem
• A smoothing method of global optimization that preserves global minima
• Funnels in energy landscapes
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• Stochastic tunneling minimization by molecular dynamics: an application to heteropolymer models
• A survey on mathematical modelling on potential energy surface of proteins
• A note on global optimization via the heat diffusion equation
• Surmounting the multiple-minima problem in protein folding
• Sampling of conformation space in torsion angle dynamics calculations
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