\textit{Ab initio} folding of peptides by the optimal-bias Monte Carlo minimization procedure

DOI10.1006/JCPH.1999.6233zbMath0949.92013OpenAlexW2078204120MaRDI QIDQ1305998

Maxim Totrov, Ruben A. Abagyan

Publication date: 19 November 2000

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1999.6233

zbMATH Keywords

global optimizationprotein foldingstructure predictionoptimal biasrandom moveshelicial bias

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Monte Carlo methods (65C05) Biochemistry, molecular biology (92C40)

Cites Work

• Unnamed Item
• Optimization by Simulated Annealing
• Derivation and testing of explicit equations of motion for polymers described by internal coordinates

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