2010-04 | EuroCUP IV | Bergisch-Gladback, DE

Posted by OpenEye Scientific on Apr 28, 2010 12:00:00 AM

Bergisch-Gladback, Germany

April 28-30, 2010

Mon, April 26th & Tues, April 27th

  • 9:00 - 18:00 - Training on Shape-based Virtual Screening

Wed, April 28th

  • 9:00- 12:30 - Toolkit Session

Wed, April 28th - Fri, April 30th

  • 15:00 Wed - 12:00 Fri - EuroCUP IV Main Sessions

Wednesday, April 28

  • Registration and Coffee/Tea from 3pm
    • 9:00 Phillip Sawunyama OpenEye, USA - 11 Toolkits. What Can You Do With Them?
    • 9:30 Dave Cosgrove AstraZeneca, UK - Using the OEToolkits to Go Beyond the Pale
    • 10:00 Bob Tolbert OpenEye, USA - Better Depictions with Ogham
    • 10:30 Break
    • 11:00 Craig Bruce AstraZeneca, UK - Getting Webbed with OEChem
    • 11:30 Andrew Dalke Dalke Scientific, Sweden - Dataflow vs. Scripting Languages
    • 12:00 Trevor Kramer Vertex, USA - OEChem MySQL Storage Engine
    • 12:30 Lunch
  • 15:00 Opening of Registration for EuroCUP IV Main Sessions and coffee
  • 15:45 Welcoming Remarks Anthony Nicholls OpenEye

Session 1:

  • 19:30 Buffet Dinner with Poster Session

Thursday April 29

Session 2:

    • Physics-based Modeling 9:00 - 12:00
    • 9:00 Jens Nielsen University of Dublin, Ireland - Calculating Electrostatic Energies in Proteins: Benchmarking on Multiple Types of Experimental Data
    • 9:30 Richard Law Evotec, UK - Use of FMO QM Calculations in Fragment-aided and Peptide Mimetic Based Drug Design
    • 10:00 F. Javier Luque University of Barcelona, Spain - Solvent Effects in Biomolecules: From First-Principles to Applications in Drug Discovery
    • 10:30 Break
    • 11:00 Stan Wlodek OpenEye, USA - Can a Fast Estimate of Binding Entropy Be Accurate?
    • 11:30 Holger Gohlke University of Düsseldorf Germany - Neither Small nor Unimportant, Yet Overlooked: How Much Unbound Ligands Contribute to the Thermodynamic Inhibition Profile of Thrombin Inhibitors
  • 12:00 Lunch
  • 13:30 Post-lunch Product Demos

Session 3:

    • Are Proteins Useful for Drug Discovery? 14:30 - 17:00
    • 14:30 Mike Word OpenEye, USA - When Is PB Wrong and What Can We Do About It?
    • 15:00 Oliver Korb CCDC, UK - Ensemble Docking Revisited
    • 15:30 Break
    • 16:00 Mark McGann OpenEye, USA - Hybrid Docking
    • 16:30 Steve Muchmore Abbott Laboratories, USA - RocsDock II: Shape-Based Pose Generation Using Known Structures As Templates
  • Castalian Allocution 17:15 - 18:15
  • Jean-Louis Reymond University of Berne, Switzerland Mining the Chemical Space for Drug Discovery
  • 18:30 Coach for Conference Dinner at the Früh Brewery in Cologne (back to the hotel around 23:00)

Friday, April 30th

Session 4:

    • Ligand-based Modeling Rules 9:00 - 12:00
  • 12:00 Closing Remarks, Lunch and Departure

As always, except for training, there is no registration cost for the meeting. Attendees need only to cover travel and accommodation.

Additional Information

Hotel

The location of the meeting and official hotel is the Schlosshotel Lerbach. 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

Aim for Frankfurt (FRA) to the main train station in Cologne (56-min ride). Booking Lufthansa flights to FRA allows you to get to Cologne's main train station (which has the airport code QKL) as a single "flight" ticket. A 25-min taxi ride then takes you to the hotel.

Aim for Cologne-Bonn airport (CGN). Then a 15-20 minute taxi ride gets you to the hotel.

Topic: Event, EuroCUP, CUP Event