Tehdyt toimenpiteet
Schrödinger Workshop - Focus on Advanced Structure-based (Drug) Design
The workshop will cover advanced features of the Maestro modeling suite and focuses on structure based drug design methods and tools (Prime, Glide, ...). It is highly recommended that the participants familiarize themselves with the basic functionality of the Maestro suite in advance. To this end, Schrödinger provides on-line material as recorded training videos which are available on their website (requires free registration): http://www.schrodinger.com/supportcenter
Print the workshop flyer (pdf) and put it on your noticeboard!
Program
The program has preliminary status: some changes are possible and the schedule is approximate. There will also be time for direct questions with the Schrödinger specialists.
Downloadable material:
- Input/output files including the Schrödinger virtual screening library (tgz).
- Presentation slides (pdf)
- Exercise handout (pdf)
- Running a remote standalone job on Murska HOW-TO (pdf)
| 9:00 | Welcome |
| 9:10 | Target structure prediction, refinement and characterization |
| 10:45 | Coffee |
| 11:00 | Small molecule docking and virtual screening (part 1) |
| 12:00 | Lunch |
| 12:45 | Running (parallel) jobs in CSC environment (pdf) |
| 13:15 | Small molecule docking and virtual screening (part 2) |
| 14:15 | Induced fit docking |
| 15:00 | Coffee |
| 15:15 | Fragment docking and structure-based pharmacophores |
| 17:30 | Introduction to ligand-based methods |
| 18:00 | Departure |
Date:
25.03.2010 09:00 - 18:00
Location:
Premises of CSC at Keilaranta 14, Espoo, Finland.
Language:
English
Lecturers:
Jianxin Duan, Schrödinger Inc., Annette Höglund, Schrödinger Inc.
Price:
- 50 euros + VAT (23%) for Finnish academics
- 150 euros + VAT (23%) for others
The fee covers course materials, lunches as well as morning and afternoon coffees
Registration
Registration has expired 19.03.2010 17:00
The number of participants is limited and seats are allocated on a "first come, first served" basis, but Maestro consortium members will have precedence. A confirmation email will be sent to the participants about one week before the course at the latest. Participants can cancel their registration at latest three business days before the course.
Additional information
Schrödinger Maestro pages at CSC: http://www.csc.fi/english/research/software/maestro
Schrödinger Maestro home page: http://www.schrodinger.com
