Computer-aided rational design of catalytic antibodies: The 1F7 case

S. Martí; J. Andrés; E. Silla; V. Moliner; Iñaki Tuñón; J. Bertrán

doi:10.1002/anie.200603293

Computer-aided rational design of catalytic antibodies: The 1F7 case

S. Martí, J. Andrés, E. Silla, V. Moliner, Iñaki Tuñón, J. Bertrán

Research output: Contribution to journal › Article › Research › peer-review

22 Citations (Scopus)

Abstract

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. (Figure Presented). © 2007 Wiley-VCH Verlag GmbH &. Co. KGaA.

Original language	English
Pages (from-to)	286-290
Journal	Angewandte Chemie - International Edition
Volume	46
Issue number	1-2
DOIs	https://doi.org/10.1002/anie.200603293
Publication status	Published - 16 Jan 2007

Keywords

Catalytic antibody
Chorismate-prephenate rearrangement
Computer chemistry
Enzymes
Quantum mechanics/molecular mechanics

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10.1002/anie.200603293

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abstract = "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. (Figure Presented). {\textcopyright} 2007 Wiley-VCH Verlag GmbH &. Co. KGaA.",

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AU - Andrés, J.

AU - Silla, E.

AU - Moliner, V.

AU - Tuñón, Iñaki

AU - Bertrán, J.

PY - 2007/1/16

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AB - 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. (Figure Presented). © 2007 Wiley-VCH Verlag GmbH &. Co. KGaA.

KW - Catalytic antibody

KW - Chorismate-prephenate rearrangement

KW - Computer chemistry

KW - Enzymes

KW - Quantum mechanics/molecular mechanics

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M3 - Article

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SN - 1433-7851

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Computer-aided rational design of catalytic antibodies: The 1F7 case

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Keywords

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