An enhanced version of SMMP-open-source software package for simulation of proteins
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Publication:709898
DOI10.1016/j.cpc.2005.10.013zbMath1196.82046WikidataQ58429761 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
Monte Carlo; minimization; protein folding; structure prediction; FORTRAN package; generalized-ensemble simulations
82D60: Statistical mechanics of polymers
92C40: Biochemistry, molecular biology
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
Related Items
CAVE: A package for detection and quantitative analysis of internal cavities in a system of overlapping balls: Application to proteins, Application of Wang-Landau sampling to a protein model using SMMP, SMMP v. 3.0-simulating proteins and protein interactions in Python and Fortran
Uses Software
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]
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