"Catalysis on the coastline: Theozyme, molecular dynamics, and free energy ..."

Gregori Ujaque et al. (2003)

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DOI: 10.1002/JCC.10151

access: closed

type: Journal Article

metadata version: 2023-10-01

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Gregori Ujaque, Dean J. Tantillo, Yunfeng Hu, Kendall N. Houk, Kinya Hotta, Donald Hilvert:
Catalysis on the coastline: Theozyme, molecular dynamics, and free energy perturbation analysis of antibody 21D8 catalysis of the decarboxylation of 5-nitro-3-carboxybenzisoxazole. J. Comput. Chem. 24(1): 98-110 (2003)

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