Literature DB >> 11252253

TRITON: graphic software for rational engineering of enzymes.

J Damboský, M Prokop, J Koca.   

Abstract

Engineering of the catalytic properties of enzymes requires knowledge about amino acid residues interacting with the transition state of the substrate. TRITON is a graphic software package for modelling enzymatic reactions for the analysis of essential interactions between the enzyme and its substrate and for in silico construction of protein mutants. The reactions are modelled using semi-empirical quantum-mechanic methods and the protein mutants are constructed by homology modelling. The users are guided through the calculation and data analysis by wizards.

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Year:  2001        PMID： 11252253     DOI： 10.1016/s0968-0004(00)01708-4

Source DB:  PubMed          Journal:  Trends Biochem Sci        ISSN： 0968-0004            Impact factor:   13.807


  6 in total

1.  Probing the importance of hydrogen bonds in the active site of the subtilisin nattokinase by site-directed mutagenesis and molecular dynamics simulation.

Authors:  Zhong-liang Zheng; Mao-qing Ye; Zhen-yu Zuo; Zhi-gang Liu; Keng-chang Tai; Guo-lin Zou
Journal:  Biochem J       Date:  2006-05-01       Impact factor: 3.857

2.  Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.

Authors:  Pavel Banás; Michal Otyepka; Petr Jerábek; Martin Petrek; Jirí Damborský
Journal:  J Comput Aided Mol Des       Date:  2006-10-03       Impact factor: 3.686

3.  A human vitamin D receptor mutant activated by cholecalciferol.

Authors:  Amanda M Ousley; Hilda S Castillo; Anna Duraj-Thatte; Donald F Doyle; Bahareh Azizi
Journal:  J Steroid Biochem Mol Biol       Date:  2011-03-10       Impact factor: 4.292

4.  Comparative binding energy analysis of haloalkane dehalogenase substrates: modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.

Authors:  Jan Kmunícek; Michal Bohác; Santos Luengo; Federico Gago; Rebecca C Wade; Jirí Damborský
Journal:  J Comput Aided Mol Des       Date:  2003 May-Jun       Impact factor: 3.686

5.  Successful expression of the Bordetella petrii nitrile hydratase activator P14K and the unnecessary role of Ser115.

Authors:  Weifeng Sun; Longbao Zhu; Xianggui Chen; Ping Chen; Lingling Yang; Wenwu Ding; Zhemin Zhou; Yi Liu
Journal:  BMC Biotechnol       Date:  2016-02-20       Impact factor: 2.563

6.  Computational approaches for predicting the biological effect of p53 missense mutations: a comparison of three sequence analysis based methods.

Authors:  Ewy Mathe; Magali Olivier; Shunsuke Kato; Chikashi Ishioka; Pierre Hainaut; Sean V Tavtigian
Journal:  Nucleic Acids Res       Date:  2006-03-06       Impact factor: 16.971
  6 in total

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