TRITON: Graphic software for docking ligands to protein mutants

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Authors

PROKOP Martin ADAM Jan KŘÍŽ Zdeněk WIMMEROVÁ Michaela KOČA Jaroslav

Year of publication 2007
Type Article in Proceedings
Conference Modeling Interactions in Biomolecules III, book of abstracts
MU Faculty or unit

Faculty of Science

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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