TRITON: graphic software for rational engineering of enzymes

被引:27
作者
Damborsky, J [1 ]
Prokop, M [1 ]
Koca, J [1 ]
机构
[1] Masaryk Univ, Lab Biomol Struct & Dynam, CS-61137 Brno, Czech Republic
关键词
D O I
10.1016/S0968-0004(00)01708-4
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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 semiempirical quantum-mechanic methods and the protein mutants are constructed by homology modeling. The users are guided through the calculation and data analysis by wizards.
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页码:71 / 73
页数:3
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