In the absence of a known target structure, computational tools can play a vital role in the drug discovery process. In this introductory talk for researchers approaching ligand-based drug design for the first time, or for those who simply want to learn more about the field, Dr. Salam will present an overview of best practices and methodologies employed by modelers, illustrated using examples involving Schrödinger software.

The presentation will last about one hour, and includes time for a question-and-answer session.

Proficiency with modeling software generally requires familiarity with at least one user interface. Maestro , the unified interface for Schrödinger's full suite of modeling software, balances its utility and powerful scripting capabilities with an emphasis on usability and intuitive operation. In this talk Schrödinger Media Director Mike Campbell provides an introductory-level overview of Maestro, showing how to perform many common tasks within Maestro.

The presentation will last about one hour, and includes time for a question-and-answer session.

Schrödinger Suite 2008 includes the new program Desmond, for fast molecular dynamics calculations, as well as WaterMap, for predicting desolvation energies and entropies of regions within ligand-binding sites. Suite 2008 also includes a wide variety of new features and enhancements to existing programs implemented both as a result of internal research as well as customer requests. In this talk, Dr. Sherman reviews new software and significant new features within the 2008 Suite.

The presentation will last about one hour, and includes time for a question-and-answer session.

Since its initial release as a full-featured program for pharmacophore modeling, Phase has steadily evolved, adding a substantial number of new and novel features. In this talk, Phase Product Manager Dr. Steve Dixon reviews new features and enhancements present in Phase 3.0, including shape-based searching and more.

The presentation will last about one hour, and includes time for a question-and-answer session.

With a backend that incorporates novel algorithms to improve calculation speed and an interface designed to make job setup and analysis easy, Desmond is a powerful new molecular dynamics package. In this presentation, Product Manager John Shelley presents an overview of Desmond's features and capabilities. Dr. Shelley will also discuss the new program WaterMap, which uses Desmond to predict the locations, energies, and entropies of ligand-binding site hydration.

The presentation will last about one hour, and includes time for a question-and-answer session.