Long-distance potentials: An approach to the multiple-minima problem in ligand-receptor interaction

Protein Engineering

Volumn 9, Issue 1, 1996, Pages 37-41

  Vakser, Ilya A ^a,b  

^a WASHINGTON UNIVERSITY   (United States)

^b ROCKEFELLER UNIVERSITY   (United States)

Author keywords

Docking algorithms; Drug design; Energy minimization; Molecular recognition; Protein structure

Indexed keywords

ARTICLE; CRYSTALLOGRAPHY; ELECTRIC POTENTIAL; ENERGY; FORCE; LIGAND BINDING; MOLECULAR INTERACTION; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; RECEPTOR BINDING;

EID: 0029876191     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/9.1.37     Document Type: Article

References (20)

1. Abola,E.E., Bernsein,F.C., Bryant,S.H., Koetzle,T.L. and Weng,J. (1987) In Allen,F.H., Bergerhoff,G. and Sievers,R. (eds). Crystallographic Databases - Information Content, Software Systems, Scientific Applications. Data Commission of the International Union of Crystallography, Bonn, pp. 107-132.
2. Blaney,J.M. and Dixon,J.S. (1993) Perspect. Drug Disc. Des., 1, 301-319.
3. Cherfils,J. and Janin,J. (1993) Curr. Opin. Struct. Biol., 3, 265-269.
4. Deisenhofer,J. and Michel,H. (1989) Science, 245, 1463-1473.
5. Fermi,G., Perutz,M.F., Shaanan,B. and Fourme,R. (1984) J. Mol. Biol., 175, 159-174.
6. Fujinaga,M., Sielecki,A.R., Read,R.J., Ardelt,W., Laskowski,M.Jr and James,M.N.G. (1987) J. Mol. Biol., 195, 397-418.
7. Harrison,R.W., Kourinov,I.V. and Andrews,L.C. (1994) Protein Engng, 7, 359-369.
8. Janin,J. (1995) Proteins, 21, 30-39.
9. Katchalski-Katzir,E., Shariv,I., Eisenstein,M., Friesem,A.A., Aflalo,C. and Vakser,I.A. (1992) Proc. Natl Acad. Sci. USA, 89, 2195-2199.
10. Kollman,P.A. (1994) Curr. Opin. Struct. Biol., 4, 240-245.
11. Kuntz,I.D., Meng,E.C. and Shoichet,B.K. (1994) Acc. Chem. Res., 27, 117-123.
12. McPhalen,C.A. and James,M.N.G. (1988) Biochemistry, 27, 6582-6598.
13. Marquart,M., Walter,J., Deisenhofer,J., Bode,W. and Huber,R. (1983) Acta Crystallogr., 39B, 480-490.
14. Piela,L., Kostrowicki,J. and Scheraga,H.A. (1989) J. Phys. Chem., 93, 3339-3346.
15. Rini,J.M., Stanfield,R.L., Stura,E.A., Salinas,P.A., Profy,A.T. and Wilson,I.A. (1993) Proc. Natl Acad. Sci. USA. 90, 6325-6329.
16. Sheriff,S., Silverton,E.W., Padlan,E.A., Cohen,G.H., Smith-Gill,S.J., Finzel,B.C. and Davies,D.R. (1987) Proc. Natl Acad. Sci. USA, 84, 8075-8079.
17. Suguna,K., Bott,R.R., Padlan,E.A., Subramanian,E., Sheriff,S., Cohen,G.H. and Davies,D.R. (1987) J. Mol. Biol., 196, 877-900.
18. Vakser,I.A. (1995) Protein Engng, 8, 371-377.
19. Vakser,I.A. and Aflalo,C. (1994) Proteins, 20, 320-329.
20. Wawak,R.J., Wimmer,M.M. and Scheraga,H.A. (1992) J. Phys. Chem., 96, 5138-5145.