Journal of Computer-Aided Molecular Design

, Volume 26, Issue 1, pp 73–75 | Cite as

Darwinian Docking

Perspective

Abstract

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.

Keywords

Evolution Optimization Docking Multivariate Quasispecies 

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Copyright information

© Springer Science+Business Media B.V. 2011

Authors and Affiliations

  1. 1.University of California, San FranciscoSan FranciscoUSA

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