SMMP v. 3.0-simulating proteins and protein interactions in Python and Fortran

DOI10.1016/j.cpc.2007.11.004zbMath1196.82058OpenAlexW2058823465WikidataQ123129457 ScholiaQ123129457MaRDI QIDQ710293

Frank Eisenmenger, Sandipan Mohanty, Ulrich H. E. Hansmann, Jan H. Meinke

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.2007.11.004

zbMATH Keywords

Monte Carlominimizationprotein foldingFORTRAN 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

Python for Unified Research in Econometrics and Statistics ⋮ Golden Ratio Simulated Annealing for Protein Folding Problem ⋮ SMMP

Uses Software

• SciPy
• MPI
• PyMOL
• Python

Cites Work

• An enhanced version of SMMP-open-source software package for simulation of proteins
• Annealing Markov Chain Monte Carlo with Applications to Ancestral Inference
• [SMMP A modern package for simulation of proteins]