A parallel Monte Carlo search algorithm for the conformational analysis of polypeptides

DOI10.1007/BF00129777MaRDI QIDQ973420zbMATH OpenOpenAlexFDO

Authors Daniel R. Ripoll, Stephen J. Thomas

Publication date 31 May 2010

Published in The Journal of Supercomputing (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/bf00129777

zbMATH Keywords

Monte Carlosupercomputerstructure analysisvector processingpolypeptides

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Performance evaluation, queueing, and scheduling in the context of computer systems (68M20) Computational methods for problems pertaining to biology (92-08) Numerical algorithms for specific classes of architectures (65Y10)

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Cites work

• Algorithm 611: Subroutines for Unconstrained Minimization Using a Model/Trust-Region Approach

Cited in

(2)

• Molecular conformation on the CM-5 by parallel two-level simulated annealing
• Parallel speed-up of Monte Carlo methods for global optimization

Describes a project that uses

Uses Software

• CHARMM
• Algorithm 611

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