pK(a) shifts in small molecules and HIV protease: Electrostatics and conformation

Journal of the American Chemical Society

Volumn 120, Issue 24, 1998, Pages 6138-6146

  Luo, Rui ^a,b   Head, Martha S ^a   Moult, John ^a   Gilson, Michael K ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

^b UNIVERSITY OF MARYLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACID; DICARBOXYLIC ACID; PROTEINASE;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; DISSOCIATION CONSTANT; ELECTRIC FIELD; ENZYME CONFORMATION; EQUILIBRIUM CONSTANT; HUMAN IMMUNODEFICIENCY VIRUS 1; MODEL; NONHUMAN;

EID: 0031779284     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja974307i     Document Type: Article

References (5)

1. McQuarrie, D. A. Statistical Mechanics; Harper & Row: New York, 1973.
2. Gilson, M. K.; Sharp, K. A.; Honig, B. H. J. Comput. Chem. 1988, 9, 327-335.
3. Gilson, M. K.; Honig, B. Proteins: Struct. Funct. Genet. 1988, 4, 7-18.
4. Bashford, D.; Karplus, M. Biochemistry 1990, 29, 10219-10225.
5. Honig, B.; Sharp, K.; Yang, A.-S. J. Phys. Chem 1993, 97, 1101-1109.