Schrödinger Workshop on “Computational Drug Discovery”
Schrödinger Workshop “Computational Drug Discovery”
Madrid, Spain
Thursday February 23, 2012 at the CSIC
Schrödinger Applications Scientist Jas Bhachoo will be hosting a workshop from 9.30 to 17.00 on Thursday February 23, 2012 at the CSIC Madrid in Spain. This workshop has been designed for intermediate-advanced users and organized in collaboration with Dra Sonia Martinez from CSIC Madrid.
Registration
Participation in this workshop is free of charge. If you wish to participate we kindly ask you to register as soon as possible as seats are limited. To register, please e-mail katia.dekimeche@schrodinger.com with your name, department and contact information.
Agenda
09.30 Welcome and Introduction
09.45 Session I:
Target structure prediction, refinement and characterization.Small molecule preparation with conformational searching. Virtual screening: Docking
13.00 Lunch Break
14.00 Session II:
Post docking analysis with clustering, SIFts, and extra-precision algorithms. Virtual screening: Structure-based pharmacophore screening and shaped-based
screening. Data reduction and filtering using 2D approaches.
16.30 Summary and Discussion
17.00 Close
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