- author = "D. Eric Walters and R. Michael Hinds",
- title = "Genetically Evolved Receptor Models (GERM): A Computational Approach to Construction of Receptor Models",
- journal = "Journal of Medicinal Chemistry",
- year = "1994",
- volume = "37",
- number = "16",
- pages = "2527--2536",
- month = aug,
- keywords = "genetic algorithms, genetic programming",
- ISSN = "0022-2623",
-
DOI = "
doi:10.1021/jm00042a006",
- size = "10 pages",
- abstract = "Given the three-dimensional structure of a receptor site, there are several methods available for designing ligands to occupy the site; frequently, the three-dimensional structure of interesting receptors is not known, however. The GERM program uses a genetic algorithm to produce atomic-level models of receptor sites, based on a small set of known structure-activity relationships. The evolved models show a high correlation between calculated intermolecular energies and bioactivities; they also give reasonable predictions of bioactivity for compounds which were not included in model generation. Such models may serve as starting points for computational or human ligand design efforts.",
-
notes = "
reprints available on request--send a mailing address D. Eric Walters, Ph.D., Associate Professor, Biological Chemistry Finch University of Health Sciences/The Chicago Medical School 3333 Green Bay Road, North Chicago, IL 60064 ph 708-578-3000, x-498;fax 708-578-3240; email: walterse@mis.fuhscms.edu",
