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Computer‐Aided Rational Design of Catalytic Antibodies: The 1F7 Case
Author(s) -
Martí S.,
Andrés J.,
Silla E.,
Moliner V.,
Tuñón I.,
Bertrán J.
Publication year - 2006
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200603293
Subject(s) - rational design , computer science , computer aided , state (computer science) , content (measure theory) , computational biology , chemistry , artificial intelligence , biology , mathematics , algorithm , programming language , genetics , mathematical analysis
Thinking it through : Details of the transition‐state structures of the chorismate to prephenate rearrangement in the active site of the 1F7 (N33S) mutant were obtained by computer‐aided rational design. This method may be used to determine whether antibody scaffolds are evolutionary dead ends or if they can be further improved.