Seurat is a single integrated interface to all the chemical, biological, and preclinical data each member of an R&D project needs in order to make decisions. Seurat features powerful and flexible searching, analysis, visualization, reporting, and collaboration tools, all of which help scientists manage their workflows and expedite the research process. In this presentation, Seurat Applications Scientist Matt Wessel will discuss how your project team can use Seurat as a self contained "out-of-the-box" data management solution. For researchers with established databases and tools, Dr. Wessel will describe how Seurat can be easily configured to integrate with your existing infrastructure and data sources.

The recent release of Schrödinger's Suite 2011 marks the introduction of Prime 3.0, combining the powerful new VSGB2.0 energy model with a large number of interface and usability enhancements. In this presentation, Product Manager Dr. Tyler Day presents an overview of recent scientific advances and new features available for accurate protein structure prediction within the Schrödinger Suite.

Woody Sherman, Vice President of Applications Science, presents an overview of what's new in Schrödinger Suite 2011. Among the features to be discussed are:

• Improved graphics and greater customizability in Maestro
• Enhanced homology modeling workflow with easy multimer building in Prime
• New VSGB2.0 energy function and improved side chain/loop predictions in Prime
• GPGPU-enabled Core Hopping
• Metadynamics in Desmond

The presentation will last about one hour, and includes time for questions.

CoMFA and CoMSIA are widely utilized 3D QSAR techniques that modelers have relied upon for years to formulate hypotheses about ligand binding when the target protein structure is unknown. These methods have recently been integrated into the Phase program and are available to all Phase customers in the Schrödinger Suite 2011 update release. In this presentation, Dr. Steve Dixon will discuss the details of the Phase implementation of Field-Based QSAR, including known differences from the Tripos offerings, basic and advanced usage, and a comparison to Phase Atom-Based QSAR.

Ligand-based drug discovery allows researchers to discover and optimize new lead compounds without the aid of an experimentally determined receptor structure. Computational ligand-based approaches are also a useful adjunct to traditional structure-based discovery projects, not least because of their speed and efficiency. In this presentation, attendees will learn about the basics of computational ligand-based drug discovery, with an emphasis on what distinguishes one method from another. Hybrid approaches that blend the best attributes of structure- and ligand-based methods will also be presented, and attendees are encouraged to come with questions.