The Community Structure–Activity Resource (CSAR) recently held its first blinded exercise
based on data provided by Abbott, Vertex, and colleagues at the University of Michigan, Ann …

Community Structure–Activity Resource (CSAR) conducted a benchmark exercise to
evaluate the current computational methods for protein design, ligand docking, and …

The 2014 CSAR Benchmark Exercise was the last community-wide exercise that was
conducted by the group at the University of Michigan, Ann Arbor. For this event …

A major goal in drug design is the improvement of computational methods for docking and
scoring. The Community Structure Activity Resource (CSAR) has collected several data sets …

To evaluate the applicability of shape similarity in docking-based pose selection and virtual
screening, we participated in the CSARdock2014 benchmark exercise for identifying the …

We report on the prediction accuracy of ligand-based (2D QSAR) and structure-based
(MedusaDock) methods used both independently and in consensus for ranking the …

Solution of the structures of ligand–receptor complexes via computational docking is an
integral step in many structural modeling efforts as well as in rational drug discovery. A …

As part of the Community Structure-Activity Resource (CSAR) center, a set of 343 high-
quality, protein–ligand crystal structures were assembled with experimentally determined K …

A major goal in drug design is the improvement of computational methods for docking and
scoring. The Community Structure Activity Resource (CSAR) aims to collect available data …

We describe a general methodology for designing an empirical scoring function and provide
smina, a version of AutoDock Vina specially optimized to support high-throughput scoring …