Generalized ensemble techniques and protein folding simulations

DOI10.1016/S0010-4655(02)00331-4MaRDI QIDQ696671zbMATH OpenOpenAlexFDO

Authors Ulrich H. E. Hansmann

Publication date 12 September 2002

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/s0010-4655(02)00331-4

zbMATH Keywords

generalized ensemble simulationsprotein folding

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Thermodynamics and heat transfer (80A99) Computational methods for problems pertaining to biology (92-08) Biophysics (92C05) Biochemistry, molecular biology (92C40)

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Cites work

• [SMMP] A modern package for simulation of proteins

Cited in

(7)

• New algorithms and the physics of protein folding
• Generalized-ensemble algorithms for molecular dynamics simulations
• scientific article; zbMATH DE number 1531956 (Why is no real title available?)
• scientific article; zbMATH DE number 1754715 (Why is no real title available?)
• scientific article; zbMATH DE number 1931084 (Why is no real title available?)
• Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
• Protein energy landscapes as studied by a generalized-ensemble approach with Tsallis statistics

Describes a project that uses

Uses Software

• SMMP

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