MollDE: a homology modeling framework you can click with
Author(s) -
Adrian A. Canutescu,
Roland L. Dunbrack
Publication year - 2005
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/bti438
Subject(s) - computer science , graphical user interface , user friendly , extensibility , user interface , homology modeling , human–computer interaction , interface (matter) , protocol (science) , focus (optics) , process (computing) , sequence (biology) , sequence alignment , software engineering , data mining , programming language , peptide sequence , operating system , biology , medicine , biochemistry , enzyme , alternative medicine , physics , bubble , pathology , maximum bubble pressure method , gene , optics , genetics
Molecular Integrated Development Environment (MolIDE) is an integrated application designed to provide homology modeling tools and protocols under a uniform, user-friendly graphical interface. Its main purpose is to combine the most frequent modeling steps in a semi-automatic, interactive way, guiding the user from the target protein sequence to the final three-dimensional protein structure. The typical basic homology modeling process is composed of building sequence profiles of the target sequence family, secondary structure prediction, sequence alignment with PDB structures, assisted alignment editing, side-chain prediction and loop building. All of these steps are available through a graphical user interface. MolIDE's user-friendly and streamlined interactive modeling protocol allows the user to focus on the important modeling questions, hiding from the user the raw data generation and conversion steps. MolIDE was designed from the ground up as an open-source, cross-platform, extensible framework. This allows developers to integrate additional third-party programs to MolIDE.
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