Catalysis on the Coastline: Theozyme, Molecular Dynamics and Free Energy Perturbation Analysis of Antibody 21D8 Catalysis of the Decarboxylation of 5-Nitro-3-Carboxybenzisoxazole

Gregori Ujaque, Dean J. Tantillo, K.N. Houk, Kinya Hotta, Donald Hilvert

Research output: Contribution to journalArticleResearch

19 Citations (Scopus)
Original languageEnglish
Pages (from-to)98-110
JournalJ. Comput. Chem.
Publication statusPublished - 1 Jan 2003

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