Nice, France • June 15-17, 2016
EuroCUP IX will be taking place at the Chateau De La Begude in Nice, France from June 15-17, 2016.
Registration for EuroCUP is free except for accommodation and board costs to be paid at the hotel.
2 Nights and Full board - €495 Board only - €163 Hotel Reservations will be handled through OpenEye once your registration is completed.
We are pleased to announce that the Keynote Speaker for our Castalian Allocution will be Prof. Stefan Grimme from the Mulliken Center for Theoretical Chemistry at University Bonn. Professor Grimme is best known for his outstanding work on ab initio and density functional methods for large molecules.
Wednesday, 15.June 2016
14:00 - 18:00 – OpenEye Applications/Orion session
Anthony Nicholls OpenEye – Welcoming Remarks
Bob Tolbert OpenEye – What exactly is a Cloud Platform, Orion
Geoff Skillman OpenEye – The Demo: OpenEye’s Cloud Platform, Orion
Stan Wlodek OpenEye – OMIGEN - Better conformations for Macrocycles
Jasna Klicic Badoux Nestle – In quest of natural bioactives
Gerhard Ecker University of Vienna – The power of linked open data - transporters, workflows, and beyond
18:30 - Welcome drinks, Poster Session and Buffet Dinner
Thursday, 16.June 2016
9:00 - 12:00 – Morning: OpenEye Toolkits Session
Krisztina Boda OpenEye – Toolkit Update
Jose Batista OpenEye – Custom coding at OpenEye Coffee Break
Gunther Stahl OpenEye – FastROCS - how does it do in the real world?
Bob Tolbert OpenEye + J. Meyers ICR UK – Creating a Map of Binding Sites from the Annotated Structural Proteome
Joanna Zarnecka University of Liverpool – Optimisation of shape fingerprints for protein-ligand systems
13:30 - 16:30 – Afternoon: Big Data & Big Computation session
Anders Broo AstraZeneca – Transferable Force Field for Crystal Structure Predictions
Laszlo Fusti-Molnar OpenEye – CSP++
Tom Darden OpenEye – Solubility predictions – where are we?
Castalian Allocution - Stephan Grimme University of Bonn – Low-cost Quantum Chemistry for Complex Chemical Systems Departure for Saint Paul de Vence & Conference Dinner
Friday, 17.June 2016
9:00 - 12:00 – Morning: New Methods in Drug Design
Holger Gohlke University Düsseldorf – Application of rigidity theory to the thermostabilization of proteins
Paul Czodrowski Merck – Water, water, everywhere, nor any space left to link? Coffee Break
Nathan Brown ICR UK – Emerging Methods in de novo Molecular Design: MOARF and the Gamification of Drug Discovery Wolfgang Guba Roche – Improving the Quality of Conformations in 3D Virtual Screening Libraries
Steve St.-Gallay Sygnature Discovery – Free-Wilson analysis: new best compounds from an old technique