The Darwinian model of evolution is an optimization strategy that can be adapted to docking. It differs from the common use of genetic algorithms, primarily in its acceptance of diverse solutions over finding "global" optima. A related problem is selecting compounds using multiple criteria. I discuss these ideas and present the outlines of a protocol for selecting "hits" and "leads" in drug discovery.
KeywordsEvolution Optimization Docking Multivariate Quasispecies
- 1.Darwin C (1859) On the origin of species by means of natural selection. John Murray, LondonGoogle Scholar
- 4.Gladwell M (2011) The order of things: what college rankings really tell us. The New Yorker Magazine, 14 Feb 2011Google Scholar
- 6.Wallace AR, Darwin C (1858) On the tendency of species to form varieties. Linnean Society of LondonGoogle Scholar
- 8.Wright S (1932) The roles of mutation, inbreading, crossbreeding and selection in evolution. In: Proceedings of the 6th international congress of genetics, vol 1, pp 356–366Google Scholar