TRITON: graphic software for modelling protein mutants and calculation reaction pathways
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F04%3A00010542" target="_blank" >RIV/00216224:14310/04:00010542 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
TRITON: graphic software for modelling protein mutants and calculation reaction pathways
Original language description
One of the objectives of protein engineering is to propose and construct modified proteins with improved activity for substrate of interest. Systematic computational investigation of many protein variants requires the preparation and handling of a largenumber of data files. The type of the data generated during the modelling of protein variants and the estimation of their activities offers the possibility of process automatization. The graphical program TRITON has been developed for modelling protein mutants and assessment of their activities. Protein mutants are modelled from wild type structure by homology modelling using external program MODELLER. Chemical reactions taking place in the mutants active site are modelled using semi-empirical quantum mechanic program MOPAC. Semi-quantitalive predictions of mutants activities can be achieved by evaluating the changes in energies of the system and partial atomic charges of active site residues during the reaction. The program TRITON offe
Czech name
TRITON:grafický software pro modelování bílkovinných mutantů a výpočet reakčních spojení.
Czech description
Grafický program TRITON byl vytvořen pro modelování bílkovinných mutantů a zkoumaní jejich aktivit. Proteinové mutanty jsou modelovány ze struktur divokých typů pomocí homology modelování použitím externího programu MODELLER.
Classification
Type
D - Article in proceedings
CEP classification
CE - Biochemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2004
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Article name in the collection
Modelling and Design of Molecular Materials, Program-Book of Abstract
ISBN
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ISSN
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e-ISSN
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Number of pages
1
Pages from-to
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Publisher name
University of Wroclav
Place of publication
Wroclaw
Event location
Wroclaw
Event date
Jan 1, 2004
Type of event by nationality
WRD - Celosvětová akce
UT code for WoS article
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