Publication details

TRITON 4 : software for ligand-binding protein engineering

Authors

PROKOP Martin ADAM Jan KŘÍŽ Zdeněk WIMMEROVÁ Michaela KOČA Jaroslav

Year of publication 2009
MU Faculty or unit

Faculty of Science

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.
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