Automatic parameterization of force field by systematic search and genetic algorithms

Journal of Computational Chemistry

Volumn 22, Issue 12, 2001, Pages 1219-1228

  Wang, Junmei ^a   Kollman, Peter A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Force field parameterization; Genetic algorithms; Systematic search

Indexed keywords

EID: 0035451865     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.1079     Document Type: Article

References (15)

1. Burkert, U.; Allinger, N. L. Molecular Mechanics; American Chemical Society: Washington, DC, 1982; vol. 177.
2. Kollman, P. A.; Merz, K. M. Acc Chem Res 1990, 23, 246.
3. McCammon, J. A.; Harvey, S. C. Dynamics of Proteins and Nucleic Acids; Cambridge University Press: New York, 1987.
4. Kollman, P. A. Chem Rev 1993, 93, 2395.
5. Beveridge, D. I.; Dicapua, F. M. Annu Rev Biophys Chem 1989, 18, 431.
6. Van Gunsteren, W. F.; Berendsen, H. J. C. Angew Chem 1990, 29, 992.
7. Impey, R. W.; Klein, M. L. J Chem Phys 1983, 79, 926.
8. Miller, K. J.; Hinde, R. J.; Andeson, J. J Comput Chem 1989, 10, 63.
9. Mohamadi, F.; Richards, N. G. J.; Guida, W. C.; Liskamp, R.; Lipton, M.; Caufield, C.; Chang, G.; Hendrickson, T.; Still, W. C. J Comput Chem 1990, 11, 440.
10. Wang, W.; Wang, L.; Kollman, P. A. Proteins Struct Funct Genet 1999, 34, 395.
11. Srinivasan, J.; Miller, J.; Kollman, P. A.; Case, D. A. J Biol Struct Dynam 1998, 16, 671.
12. Chong, L. T.; Duan, Y.; Wang, L.; Massova, I.; Kollman, P. A. Proc Natl Acad Sci USA 1999, 96, 14330.
13. Massova, I.; Kollman, P. A. Perspect Drug Discov Des 2000, 18, 113.
14. Massova, I.; Kollman, P. A. J Am Chem Soc 1999, 121, 8133.
15. Lee, M. R.; Duan, Y.; Kollman, P. A. Proteins Struct Funct Genet 2000, 39, 309.