Schrödinger Senior Applications Scientist Jas Bhachoo and Senior Scientist Susanne Salzmann will be presenting a workshop from 9.30 to 16.30 on Thursday, April 26th, 2012 at Yeditepe University in Istanbul, Turkey.

Agenda

09.30     Welcome and introduction
09.45     Session I: 
Preparation and virtual screening            
                 - Target structure prediction, refinement, and characterization
            
                 - Small molecule preparation with conformational searching
              
                 - Virtual screening: Docking
12.15     Lunch break
13.15     Session II:
 Post-docking analysis            
                 - 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
 14.30     Session III:
 Introduction to Schrödinger QM tools and methods
                 - Introduction to the Jaguar interface
                 - Introduction to functionals and basis sets
                 - Geometry optimization, symmetry, and frequencies
                 - Calculating and visualizing properties
                 - A selection from Hot-Topics: NMR shifts, pKas, Spectra, QSite
16.30     Close 

Registration:

This workshop is being offered free of charge but we ask you to register as space is limited. To register, please e-mail your name, title, and institution to Annette Höglund (annette.hoeglund@schrodinger.com).