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 journalArticleResearchpeer-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 languageEnglish
    Pages (from-to)286-290
    JournalAngewandte Chemie - International Edition
    Volume46
    Issue number1-2
    DOIs
    Publication statusPublished - 16 Jan 2007

    Keywords

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

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