Author(s): Lengauer T, Rarey M
Abstract Share this page
Abstract With the rapidly increasing amount of molecular biological data available, the computer-based analysis of molecular interactions becomes more and more feasible. Methods for computer-aided molecular docking have to include a reasonably accurate model of energy and must be able to deal with the combinatorial complexity incurred by the molecular flexibility of the docking partners. In both respects, recent years have seen substantial progress.
This article was published in Curr Opin Struct Biol
and referenced in Journal of Computer Science & Systems Biology