Tehdyt toimenpiteet
Sybyl Training Course 2008
From Reagents to Potential Lead-Compounds.
During this course the participants will learn to use several tools in SYBYL.
After a short introduction to the basics of SYBYL and to the new features available in SYBYL8.0 we will follow a typical workflow in Computational Chemistry.
After substructure searches in UNITY-databases a reagent-based virtual compound library will be built. From this a diverse subset of compounds will be selected. These structures will be finally docked into a prepared protein target.
High scores will indicate which compounds are worth being synthesized and which should be sent to a biological testing.
Program
Tuesday 26th of February:
10:15 - 10.30 Welcome and general issues
10.30 - 12.00 Session I
12.00 - 13.00 Lunch
13.00 - 15.00 Session II
15.00 - 15.20 Coffee break
15.20 - 17.00 Session III
Wednesday 27th of February
9:15 - 12.00 Session IV
10.30 - 10.45 Coffee break
10.45 - 12.15 Session V
12.15 - 13.15 Lunch
13.15 - 15.00 Session VI
15.00 - 15.20 Coffee break
15.20 - 17.00 Session VII
Registration
Additional information
- How to reach CSC
- By bus
- Buses 102 and 103 from Kamppi (in the center of Helsinki)
- Try YTV's Journey planner
- Accommodation
- Eurohostel in Katajanokka (cheap and comfortable, student prices, connection by tram 4 and bus 102 or 103)
- Radisson SAS Hotel, Otaniemi, Espoo
- Hotels and Hostels in Helsinki and in surrounding areas: http://www.helsinki.fi/en/index/matkailu/majoitus.html
Contact Jussi Ahokas, jussi.ahokas@csc.fi, for more information.
