2007
TRITON: Graphic software for docking ligands to protein mutants
PROKOP, Martin, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ, Jaroslav KOČA et. al.Základní údaje
Originální název
TRITON: Graphic software for docking ligands to protein mutants
Název česky
TRITON: Graphic software for docking ligands to protein mutants
Autoři
PROKOP, Martin, Jan ADAM, Zdeněk KŘÍŽ, Michaela WIMMEROVÁ a Jaroslav KOČA
Vydání
Prague, Modeling Interactions in Biomolecules III, book of abstracts, s. 44-44, 2007
Nakladatel
Neuveden
Další údaje
Jazyk
angličtina
Typ výsledku
Stať ve sborníku
Obor
10600 1.6 Biological sciences
Stát vydavatele
Česká republika
Utajení
není předmětem státního či obchodního tajemství
Odkazy
Organizační jednotka
Přírodovědecká fakulta
Klíčová slova anglicky
TRITON; molecular modelling; graphical software; protein-ligand docking
Příznaky
Mezinárodní význam
Změněno: 7. 11. 2007 16:00, Mgr. Martin Prokop, Ph.D.
V originále
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.
Česky
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.
Návaznosti
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