Combined molecular dynamics and Φ-value analysis of structure- reactivity relationships in the transition state and unfolding pathway of barnase: Structural basis of Hammond and anti-Hammond effects

Journal of the American Chemical Society

Volumn 120, Issue 49, 1998, Pages 12740-12754

  Daggett, Valerie ^a   Li, Aijun ^a   Fersht, Alan R ^b  

^a UNIVERSITY OF WASHINGTON   (United States)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BARNASE; MUTANT PROTEIN;

ARTICLE; CHEMICAL REACTION; ENZYME DENATURATION; ENZYME KINETICS; ENZYME REACTIVATION; ENZYME STRUCTURE; EQUILIBRIUM CONSTANT; MOLECULAR DYNAMICS; PROTEIN FOLDING;

EID: 0032539209     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja981558y     Document Type: Article

References (6)

1. Fersht, A. R. Curr. Opin. Struct. Biol. 1995, 5, 79-84.
2. Fersht, A. R.; Matouschek, A.; Serrano, L. J. Mol. Biol. 1992, 224, 771-782.
3. Kabsch, W. Acta Crystallogr. Sect. A. 1976, 32, 922-933.
4. Daggett, V.; Kollman, P. A.; Kuntz, I. D. Biopolymers 1991, 31, 1115-1134.
5. Daggett, V.; Levitt, M. J. Mol. Biol. 1992, 223, 1121-1138.
6. Hubbard, S. J.; Thornton, J. M. NACCESS, Computer Program; Department of Biochemistry and Molecular Biology, University College, London, 1993.