title: Lead identification in post-genomics: computers as a complementary alternative.
abstract: Besides high-throughput screening, virtual screening has been developed as knowledge-based alternative to lead discovery. As computer speed and size of compound libraries are less and less restrictive, our insufficient understanding of the general principles that governs the formation of protein-ligand complexes advance to be one of the major limitations. Systematic analyses of protein-exposed binding epitopes help to develop privileged templates for library design that address protein family members specifically and selectively.:
authors: Institute of Pharmaceutical Chemistry, University of Marburg, Marbacher Weg 6, D-35032 Marburg, Germany. Electronic address:klebe@mailer.uni-marburg.de.
authors: Gerhard
authors: G
authors: Klebe