Dublin, Ireland
Sept 21-23, 2011
The near final program for EuroCUP V, OpenEye's 5th annual European science meeting, held this year in Dublin, Ireland on September 21-23, 2011, is now available. In addition to the 4 Main Sessions, we will have a half-day Toolkits Round Table where toolkit users will have the opportunity to share tips and ideas. Two separate workshops (free of charge) on BROOD and VIDA will also be offered.
As always, there is no registration cost for the meeting. Attendees need only cover travel and accommodation.
Wednesday, Sept 21
- Session 1: Maximal Use of Information (15:00 - 18:00)
- Steve Muchmore, Abbott Laboratories, USA - "A Probabilistic Framework for Structure- and Ligand-Based Virtual Screening"
- Hans Matter, Sanofi-Aventis, Germany - "Development and Application of Tailored Scoring Functions for Protein-ligand Interactions"
- Francesca Perruccio, Syngenta, Switzerland - "From Gene to Lead"
- Brian Kelley, OpenEye - "The Curate's receptor - pose prediction using the good bits"
- Terry Stouch, Science For Solutions, USA - "The Intricacies of Pharmaceutical Data: What Is Required to Properly Understand it"
- 19:00 - late
- Welcome drinks, buffet dinner and poster session
Thursday, Sept 22
- Session 2: Bridging the Modeler / Chemist Divide (9:00 - 12:00)
- John Delaney, Syngenta, UK - “Eu não falo química computacional”
- Joerg Degen, F. Hoffmann-La Roche, Switzerland - "Interactive Fuzzy Searching in the Available Chemical Space"
- Krisztina Boda, OpenEye - "The art of chemistry: visualizing chemical information"
- Nick Barton, GlaxoSmithKline, UK - "Should we leave chemists to their own devices?"
- Jurgen Bajorath, University of Bonn, Germany - "Methods for SAR Visualization"
- Lunch (12:00)
- OpenEye Products Review (13:15 - 14:30)
- Session 3: Speed and molecular calculation (14:30 - 17:00)
- Eric Manas, GlaxoSmithKline, USA - TBA
- Kim Branson, Discovery Engine, USA - "Sampl at Speed"
- Brian Cole, OpenEye - "Higher dimensional beliefs"
- Anthony Nicholls, OpenEye - "If it were done when 'tis done, then 'twere well it were done quickly"
- Castallian Allocution (17:15)
- David Leahy, Molplex, UK - "Most Drug Discovery Scientists Could Be Replaced by Software Systems"
- Conference Dinner at the Old Jameson Distillery (18:40)
Friday, Sept 23
- Session 4: Precision in molecular calculation (9:00 - 12:00)
- Sally Price, University College London, UK - "Progress and challenges in the computational prediction of organic crystal structures"
- Andrew Grant, AstraZeneca, UK - "What can we learn if we actually compare theory to experiment? Lessons from small molecule dipole moments"
- Laszlo Fusti Molnar, OpenEye - "Study of intermolecular interactions in non aqueous environments"
- Osamu Ichihara, Evotec, UK - "Characterizing Binding Site Waters Using SZMAP, MD and FMO QM Methods"
- Jens Nielsen, Novozymes, Denmark - "Predicting protein pKa values: what we can and cannot do"
- Buffet lunch and close
Additional Information
General Schedule
- Monday, Sept 19 (9:00 - 17:00) - Training: Optimize New Leads with BROOD
- Tuesday, Sept 20 (9:00 - 17:00) - Training: Molecular Visualization with VIDA
- Wednesday, Sept 21 (9:00 - 12:00) - Toolkits Round Table
- Wednesday, Sept 21 (from 15:00) - Friday, September 23, (lunchtime) - EuroCUP V Main Sessions
Deadlines
- Abstract submission deadline for student bursaries: August 21st, 2011
- Abstract submission deadline for posters: September 1st, 2011
- Registration Deadline: September 1st, 2011. Please register early as only a limited number of rooms at the conference hotel are reserved at the preferred rate of 99€.
Hotel
The location of the meeting and official hotel is the Clontarf Castle Hotel (http://www.clontarfcastle.ie/). You do NOT need to book the hotel yourself, OpenEye will make the reservation for you with the information you will provide in the registration form.
Travel
Dublin airport is only a 15-20 minute taxi ride from the hotel.
Costs and Payments
There is no registration cost. Delegates only need to cover their travel, accommodation and meals. Please see the registration form for details. Payments will be made directly to the hotel upon checkout, together with any incidentals, unless prior arrangement has been made with EuroCUP organizers.
Student Bursaries
A limited number of student bursaries are available for poster presentations. These will cover the costs associated with attendance to the Main EuroCUP Sessions, i.e. accommodation and full board. For consideration, please use the registration form to submit your poster abstract and use the comments field to precise that you are applying for a student bursary. Posters related to the use of OpenEye software would be preferred, but interesting work not related to the use of OpenEye software will be considered as well.