Maestro is a powerful, fullfeatured graphical molecular modeling interface that is widely used by modelers in pharmaceutical and biotechnology companies. However, researchers who only use modeling tools on an occasional basis may prefer a more streamlined interface tailored solely to the task of interest. In response to these needs, we recently released web interfaces to two of our most popular programs, Glide and Phase, and there are plans to develop web interfaces for additional programs. The web interfaces provide a highly intuitive way to run these programs from a web browser on either your local web server or from dedicated machines.
The Schrödinger web interfaces place an emphasis on ease of job submission and subsequent visual interpretation of results. The Glide web interface allows users to simply select a ligand file and a receptor model, while users of the Phase interface need only to select a pharmacophore model and a Phase database. For both interfaces, a small selection of additional job options is provided directly on the submission page. Once the job is submitted, a progress page is displayed that allows users to monitor the status of the job. When the job completes, a results page is automatically displayed. The results page for both interfaces provides an embedded 3D graphics window as well as a results table with 2D images of the ligands. In the Phase interface, the 3D graphics window also displays the pharmacophore model.
These web interfaces were designed to facilitate collaboration between modelers and medicinal chemists. We expect that modelers will first prepare the initial receptor structures (for Glide) or develop pharmacophore models (for Phase). Then, using the simple mechanism we supply, modelers can make these receptor structures and pharmacophore models available for docking or screening experiments that can be performed by anybody who has access to the web interface, such as colleagues in medicinal chemistry.
Above, the Glide web Interface as it appears while visualizing results.
We encourage you to email us at help@schrodinger.com with your suggestions for additional web interfaces that you would like to see us develop.