PROKOP, Martin, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA. TRITON: Graphic software for docking ligands to protein mutants. In Modeling Interactions in Biomolecules III, book of abstracts. Prague: Neuveden, 2007, p. 44.
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Basic information
Original name TRITON: Graphic software for docking ligands to protein mutants
Name in Czech TRITON: Graphic software for docking ligands to protein mutants
Authors PROKOP, Martin, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ and Jaroslav KOČA.
Edition Prague, Modeling Interactions in Biomolecules III, book of abstracts, p. 44-44, 2007.
Publisher Neuveden
Other information
Original language English
Type of outcome Proceedings paper
Field of Study 10600 1.6 Biological sciences
Country of publisher Czech Republic
Confidentiality degree is not subject to a state or trade secret
WWW URL
Organization unit Faculty of Science
Keywords in English TRITON; molecular modelling; graphical software; protein-ligand docking
Tags graphical software, molecular modelling, protein-ligand docking, Triton
Tags International impact
Changed by Changed by: Mgr. Martin Prokop, Ph.D., učo 1474. Changed: 7/11/2007 16:00.
Abstract
We developed graphic program TRITON which automates processes related to computational engineering of proteins. Newest version of TRITON (4.0) was extended to enable study of ligand-protein binding using docking methodology. External program AutoDock is used for searching binding modes and calculation of binding energy. Methodology was tested with monosaccharide ligands which were docked into structure of PA-IIL lectin and some of its mutants. Program TRITON is available free for academic users.
Abstract (in Czech)
We developed graphic program TRITON which automates processes related to computational engineering of proteins. Newest version of TRITON (4.0) was extended to enable study of ligand-protein binding using docking methodology. External program AutoDock is used for searching binding modes and calculation of binding energy. Methodology was tested with monosaccharide ligands which were docked into structure of PA-IIL lectin and some of its mutants. Program TRITON is available free for academic users.
Links
MSM0021622413, plan (intention)Name: Proteiny v metabolismu a při interakci organismů s prostředím
Investor: Ministry of Education, Youth and Sports of the CR, Proteins in metabolism and interaction of organisms with the environment
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