Computational methods for biomolecular docking.
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.
Lengauer
T
T
Institute for Algorithms and Scientific Computing (SCAI), German National Research Center for Information Technology (GMD), Sankt Augustin, Germany. lengauer@gmd.de
Rarey
M
M
D016208:Databases, Factual; D015195:Drug Design; D008958:Models, Molecular; D011485:Protein Binding; D012984:Software