An enhanced version of SMMP-open-source software package for simulation of proteins

DOI10.1016/J.CPC.2005.10.013zbMath1196.82046OpenAlexW2035742370WikidataQ58429761 ScholiaQ58429761MaRDI QIDQ709898

Shura Hayryan, Ulrich H. E. Hansmann, Frank Eisenmenger, Chin-Kun Hu

Publication date: 18 October 2010

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

Full work available at URL: https://doi.org/10.1016/j.cpc.2005.10.013

zbMATH Keywords

Monte Carlominimizationprotein foldingstructure predictionFORTRAN packagegeneralized-ensemble simulations

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Biochemistry, molecular biology (92C40) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (3)

Application of Wang-Landau sampling to a protein model using SMMP ⋮ CAVE: A package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins ⋮ SMMP v. 3.0-simulating proteins and protein interactions in Python and Fortran

Uses Software

• SMMP
• NSOL

Cites Work

• ARVO: A Fortran package for computing the solvent accessible surface area and the excluded volume of overlapping spheres via analytic equations
• [SMMP A modern package for simulation of proteins]
• Unnamed Item

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