TRITON 4 : software for ligand-binding protein engineering

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Authors	PROKOP Martin ADAM Jan KŘÍŽ Zdeněk WIMMEROVÁ Michaela KOČA Jaroslav
Year of publication	2009
MU Faculty or unit	Faculty of Science
Web	Website of the software TRITON
Description	The program TRITON 4 is a graphical tool for computer-aided protein engineering. It implements methodology of computational site-directed mutagenesis to design new protein mutants with required properties. It uses the external program MODELLER to model structures of new protein mutants based on the wild-type structure by homology modelling method. Ligand binding properties of the mutants can be studied by docking methodology using the external program AutoDock. Ligand binding modes and affinities of individual protein mutants are obtained as a result. Binding properties can also be analyzed by visualization of affinity maps or by calculation of electrostatic potential between ligand and individual residues of binding site. The program TRITON 4 offers graphical tools for preparation of the input files and for visualization of output data. The program uses projects to organize computational data. The program TRITON 4 is available for Linux operating system.Executable files are available free of charge for academic users.
Related projects:	Proteins in metabolism and interaction of organisms with the environment Biomolecular centre Lectins from human pathogens - structure, function, engineering