Wenzel W. – TechConnect Briefs

High Throughput in-silico Screening against Flexible Protein Receptors

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

Virtual screening of chemical databases to targets of known three-dimensional structure is developing into an increasingly reliable method for finding new lead candidates in drug development. Both better scoring functions and novel docking strategies contribute [...]

Current Collapse in Tunnelling Transport through Benzene

Hettler M., Wenzel W., Wegewijs M., Schoeller H., Forschungszentrum Karlsruhe, DE

Single molecule electronic devices offer exciting perspectives for further minituarization of electronic circuits with a potentially large impact in applications. Several experiments have demonstrated the possibility to attach individual molecules to leads and to measure [...]

Authors: Wenzel W.

High Throughput in-silico Screening against Flexible Protein Receptors

Current Collapse in Tunnelling Transport through Benzene

Electrical Transport through Single-molecule Junctions: From molecular orbitals to conduction channels

Low Energy Conformations of a Three-Helix Peptide in a All-Atom Biomolecular Forcefield

Stochastic Tunneling Method for High Throughput Database Screening

Stochastic Optimization Methods for Biomolecular Structure Prediction