Hotel Costs 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.
Anthony NichollsOpenEye – Welcoming Remarks Bob TolbertOpenEye – What exactly is a Cloud Platform, Orion Geoff SkillmanOpenEye – The Demo: OpenEye’s Cloud Platform, Orion
Stan WlodekOpenEye – OMIGEN - Better conformations for Macrocycles Jasna Klicic BadouxNestle – In quest of natural bioactives Gerhard EckerUniversity 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 BodaOpenEye – Toolkit Update Jose BatistaOpenEye – Custom coding at OpenEye Coffee Break Gunther StahlOpenEye – FastROCS - how does it do in the real world? Bob TolbertOpenEye + J. MeyersICR UK – Creating a Map of Binding Sites from the Annotated Structural Proteome Joanna ZarneckaUniversity of Liverpool – Optimisation of shape fingerprints for protein-ligand systems
13:30 - 16:30 – Afternoon: Big Data & Big Computation session
Anders BrooAstraZeneca – Transferable Force Field for Crystal Structure Predictions Laszlo Fusti-MolnarOpenEye – CSP++ Tom DardenOpenEye – Solubility predictions – where are we?
Castalian Allocution - Stephan GrimmeUniversity of Bonn – Low-cost Quantum Chemistry for Complex Chemical SystemsDeparture for Saint Paul de Vence & Conference Dinner
Friday, 17.June 2016
9:00 - 12:00 – Morning: New Methods in Drug Design
Holger GohlkeUniversity Düsseldorf – Application of rigidity theory to the thermostabilization of proteins Paul CzodrowskiMerck – Water, water, everywhere, nor any space left to link? Coffee Break Nathan BrownICR UK – Emerging Methods in de novo Molecular Design: MOARF and the Gamification of Drug Discovery Wolfgang GubaRoche – Improving the Quality of Conformations in 3D Virtual Screening Libraries Steve St.-GallaySygnature Discovery – Free-Wilson analysis: new best compounds from an old technique