stochastic optimization – TechConnect Briefs

Stochastic Tunneling Method for High Throughput Database Screening

Merlitz H., Burghardt B., Wenzel W., Forschungszentrum Karlsruhe, DE

Virtual screeing of large databases of chemical compounds against known structurally resolved protein receptors emerges as a promising route for lead discovery in drug design. In this approach each ligand of the database is aligned [...]

Stochastic Optimization Methods for Biomolecular Structure Prediction

Herges T., Wenzel W., Institute for Nanotechnology - Karlsruhe, DE

Protein structure prediction (PSP) remains one of the main outstanding challenges of theoretical biophysical chemistry. Its goal is to predict the fully three-dimensional tertiary structure of the protein on the basis of its amino acid [...]