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

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

Department of Chemistry

Research output: Contribution to journal › Article › Research

Original language	English
Pages (from-to)	98-110
Journal	J. Comput. Chem.
Volume	24
Publication status	Published - 1 Jan 2003

Cite this

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

author = "Gregori Ujaque and Tantillo, {Dean J.} and K.N. Houk and Kinya Hotta and Donald Hilvert",

year = "2003",

month = jan,

day = "1",

language = "English",

volume = "24",

pages = "98--110",

journal = "Journal of Computational Chemistry",

issn = "0192-8651",

}

Catalysis on the Coastline: Theozyme, Molecular Dynamics and Free Energy Perturbation Analysis of Antibody 21D8 Catalysis of the Decarboxylation of 5-Nitro-3-Carboxybenzisoxazole. / Ujaque, Gregori; Tantillo, Dean J.; Houk, K.N.; Hotta, Kinya; Hilvert, Donald.

In: J. Comput. Chem., Vol. 24, 01.01.2003, p. 98-110.

Research output: Contribution to journal › Article › Research

TY - JOUR

T1 - Catalysis on the Coastline: Theozyme, Molecular Dynamics and Free Energy Perturbation Analysis of Antibody 21D8 Catalysis of the Decarboxylation of 5-Nitro-3-Carboxybenzisoxazole

AU - Ujaque, Gregori

AU - Tantillo, Dean J.

AU - Houk, K.N.

AU - Hotta, Kinya

AU - Hilvert, Donald

PY - 2003/1/1

Y1 - 2003/1/1

M3 - Article

VL - 24

SP - 98

EP - 110

JO - Journal of Computational Chemistry

JF - Journal of Computational Chemistry

SN - 0192-8651

ER -