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MMM: A toolbox for integrative structure modeling
Author(s) -
Jeschke Gunnar
Publication year - 2018
Publication title -
protein science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.353
H-Index - 175
eISSN - 1469-896X
pISSN - 0961-8368
DOI - 10.1002/pro.3269
Subject(s) - toolbox , computer science , graphical user interface , matlab , interface (matter) , homology modeling , data mining , computational biology , bioinformatics , biological system , physics , biology , programming language , nuclear magnetic resonance , enzyme , bubble , maximum bubble pressure method , parallel computing
Structural characterization of proteins and their complexes may require integration of restraints from various experimental techniques. MMM (Multiscale Modeling of Macromolecules) is a Matlab‐based open‐source modeling toolbox for this purpose with a particular emphasis on distance distribution restraints obtained from electron paramagnetic resonance experiments on spin‐labelled proteins and nucleic acids and their combination with atomistic structures of domains or whole protomers, small‐angle scattering data, secondary structure information, homology information, and elastic network models. MMM does not only integrate various types of restraints, but also various existing modeling tools by providing a common graphical user interface to them. The types of restraints that can support such modeling and the available model types are illustrated by recent application examples.