A medium to advanced Schrödinger hands-on workshop that will take place on Thursday the 9th of June 2011 at CESCA facilities in Barcelona.
Schrödinger
Schrödinger offers products from general molecular modeling programs to a comprehensive suite of drug design software including both ligand- and structure‑based methods. The IZO-SGI Computing Service has several of them.
Schrödinger Workshop
Advanced hands-on: Computational Drug Discovery – Exploring Various Approaches for Novel Hit Identification
Agenda
09:30 Welcome
09:45 Target structure prediction, refinement and characterization
12:30 Lunch
13:30 Virtual Screening part 1: Docking and post-docking processing
15:00 Virtual screening part 2: Cheminformatics, pharmacophore and shape-based searching
17:00 Summary
Preparation
Maestro is the unified interface for all Schrödinger software and is available to all academic users at no charge. If you are not yet using Maestro on a regular basis, please request a license so that you can prepare yourself for this advanced workshop: http://www.schrodinger.com/downloadcenter/10/. Also, feel free to contact the Drug Design Service support at CESCA (sdf@suport.cesca.cat) for a basic Maestro introduction.
Registration
Participation in this workshop is free of charge, but we kindly ask you to register at your earliest convenience as seats are limited. To register, please e-mail Katia.Dekimeche@schrodinger.com with your name, department and contact information.
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