Schrödinger scientist Jianxin Duan, PhD will be hosting a hands-on workshop at Karolinska Institute on Friday, March 18th, 2011. This workshop - designed for intermediate users - will take place in the computer room Enter, and has been organized in collaboration with Anna-Lena Gustavsson, PhD of Laboratories for Chemical Biology at KI, Sweden.
Agenda
09.00 Welcome
09.15 Schrödinger Computational Chemistry Today –
Available Tools and Successful Case Studies
09.45 "Computational Chemistry in Chemical Biology
Research - from Screening Set Design to Docking
Studies" presented by Anna-Lena Gustavsson,
Laboratories for Chemical Biology, Karolinska Institutet
10.00 "Application Case Studies: from QM to
Structure-Based Design" presented by Karin
Kolmodin, AstraZeneca AB, Södertälje
10.15 Target Structure Refinement and
Characterization (hands-on)
12.00 Lunch Break
13.00 Virtual Screening: Cheminformatics,
Pharmacophore-Based Searching, and Docking
(hands-on)
15.30 Summary
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 Annette Höglund at annette.hoeglund@schrodinger.com with your name, department, and contact information.
We look forward to seeing you there!

