MODELLER

Modeller
Original author(s) Andrej Sali
Developer(s) University of California, San Francisco, Accelrys
Initial release 1989 (1989)
Stable release
9.17 / July 7, 2016 (2016-07-07)
Development status Active
Operating system Unix, Linux, macOS, Windows
Platform x86, x86-64
Available in English
Type homology modeling of proteins
License Proprietary: academic nonprofit freeware, commercial software
Website salilab.org/modeller

Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer).[1][2] It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins (protein NMR), termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability density function for the location of each atom in the protein. The method relies on an input sequence alignment between the target amino acid sequence to be modeled and a template protein which structure has been solved.

The program also incorporates limited functions for ab initio structure prediction of loop regions of proteins, which are often highly variable even among homologous proteins and thus difficult to predict by homology modeling.

Modeller was originally written and is currently maintained by Andrej Sali at the University of California, San Francisco.[3] It runs on the operating systems Unix, Linux, macOS, and Windows. It is freeware for academic use. Graphical user interfaces (GUIs) and commercial versions are distributed by Accelrys. The ModWeb comparative protein structure modeling webserver is based on Modeller and other tools for automatic protein structure modeling, with an option to deposit the resulting models into ModBase. A freely available GUI to Modeller, named EasyModeller, is developed by Kuntal Kumar Bhusan, at the University of Hyderabad, India.[4][5] A new version, EasyModeller 4.0, was recently released and available for free download for the operating systems Linux and Windows. There is also a simple interface to Modeller in the program UCSF Chimera.

See also

References

  1. ↑ Fiser A, Sali A (2003). "Modeller: generation and refinement of homology-based protein structure models". Meth. Enzymol. 374: 461–91. doi:10.1016/S0076-6879(03)74020-8. PMID 14696385.
  2. ↑ Martí-Renom MA, Stuart AC, Fiser A, Sánchez R, Melo F, Sali A (2000). "Comparative protein structure modeling of genes and genomes". Annu Rev Biophys Biomol Struct. 29: 291–325. doi:10.1146/annurev.biophys.29.1.291. PMID 10940251.
  3. ↑ Sali A, Blundell TL (December 1993). "Comparative protein modelling by satisfaction of spatial restraints". J. Mol. Biol. 234 (3): 779–815. doi:10.1006/jmbi.1993.1626. PMID 8254673.
  4. ↑ EasyModeller
  5. ↑ University of Hyderabad, India
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