TRITON: Graphic software for docking ligands to protein mutants
| Authors | |
|---|---|
| Year of publication | 2007 |
| Type | Article in Proceedings |
| Conference | Modeling Interactions in Biomolecules III, book of abstracts |
| MU Faculty or unit | |
| Citation | |
| Web | http://ncbr.chemi.muni.cz/triton/ |
| Field | Biochemistry |
| Keywords | TRITON; molecular modelling; graphical software; protein-ligand docking |
| Description | 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. |
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