---
title: 2014-05 | EuroCUP VII | Méry-sur-Olise, FR
description: EuroCUP VII in Méry-sur-Olise, France • May 14-16, 2014 - Explore our agenda for this past event.
---

[OpenEye, Cadence Molecular Sciences Events ](https://www.eyesopen.com/events)

# [2014-05 | EuroCUP VII | Méry-sur-Olise, FR](https://www.eyesopen.com/events/2014/05/eurocup-07)

 Written by [OpenEye Scientific](https://www.eyesopen.com/events/author/openeye-scientific) | May 14, 2014 4:00:00 AM

### Méry-sur-Olise, France • May 14-16, 2014

- ### 8:55am Session 1 - Applications and Progress in OpenEye Toolkits and Webservices
- 9:00am OEToolkits++

**presented by** Brian Cole

- ### 9:30am Encoding and Searching Markush Structures in Chemical Patents
  
  **presented by** David Cosgrove
- ### 10:00am Matched Pairs are Dead - Long Live Matched Series
  
  **presented by** Noel O'Boyle
- ### 11:00am How Toolkits Put YOU in the Driver's Seat
  
  **presented by** Jose Batista
- ### 11:30am ROCS at 88 miles per hour
  
  **presented by** Steven Muchmore and Brian Cole
- ### 12:00pm Using Spotfire as a Chemical Design Tool
  
  **presented by** Danny Dannaher and Matthew Stahl
- ### 12:30pm Lunch
- ### 2:45pm Welcome Remarks
  
  **presented by** Geoff Skillman
- ### 3:00pm Session 2 - Small Molecule Crystal Prediction
- ### 3:00pm Current Computational Approaches to Support Pharmaceutical Solid Form Selection
  
  **presented by** Yuriy Abramov
- ### 3:30pm Crystal Structure Predictions at AstraZeneca - Current Status and Challenges
  
  **presented by** Sten Nilsson Lill
- ### 4:00pm Recent Developments for Crystal Predictions at OpenEye
  
  **presented by** Laszlo Fusti-Molnar
- ### 4:30pmAfternoon break
- ### 5:00pmSession 3 - Active Site
- ### 5:00pmThe Cavbase System: A Tool for Extraction and Comparison of Putative Protein Binding Sites
  
  **presented by** Timo Krotzky
- ### 5:30pmPocket Similarity-Based Off-Target Prediction: a Benchmark Study
  
  **presented by**Alex Aronov
- ### 6:00pmProtein Active Site Comparison with SiteHopper: Phylogeny to Polypharmacology
  
  **presented by** Greg Warren
- ### 7:00pm Welcome Drinks, Poster Session and Buffet Dinner
- ### 7:00pmLibrary Enrichment at Inventiva : Criteria That Matter, Timely Manner
  
  **presented by**Jerome Amaudrut
- ### 7:00pm Accurate Approximation of Electrostatic Interaction from Theoretical Aspherical Pseudoatom Database
  
  **presented by** Prashant Kumar
- ### 7:00pm Neighborhood-Based Predictions of Novel Active Compounds from SAR Matrices
  
  **presented by** Disha Gupta-Ostermann
- ### 7:00pmChemistry Is Beautiful
  
  **presented by**Krisztina Boda
- ### 7:00pmQuantum Refinements of Crystal Structures
  
  **presented by** Laszlo Fusti-Molnar
- ### 7:00pmMaking SZYBKI cool: Hessian Optimization and Multipoles
  
  **presented by** Laszlo Fusti-Molnar
- ### 7:00pm Sampling Crystal Structures with Force Field Energy
  
  **presented by** Laszlo Fusti-Molnar
- ### 7:00pm Site Hopper: A Unique Tool for Binding Site Comparison
  
  **presented by** Jose Batista
- ### 7:00pm SZMAP TK: Working with Water
  
  **presented by **Christopher Bayly
- ### 7:00pm Searching with Statistics: Statistical Significance & Practical Importance in Docking
  
  **presented by **Gunther Stahl

### DAY 2 - Thursday15th May 2014

- ### 8:55am Session 4 - OpenEye Innovations
- ### 9:00am pKa Prospector and BROOD
  
  **presented by **Geoff Skillman
- ### 9:30amNot Just Pretty Pictures - Why Visualization Matters
  
  **presented by **Krisztina Boda
- ### 10:00am Morning break
- ### 10:30am Entropy, Ligand Strain, and Ligand Flexibility
  
  **presented by**Christopher Bayly
- ### 11:00am SZMAP
  
  **presented by **Gunther Stahl
- ### 11:30am OEDocking
  
  **presented by** Greg Warren
- ### 12:00pm Lunch
- ### 1:55pm Session 5 - Structural Biology in Drug Discovery
- ### 2:00pm Atomic Resolution for Drug Discovery
  
  **presented by** Armin Ruf
- ### 2:30pm The Combined Use of Virtual Screening and Differential Scanning Fluorimetry for Rapid Fragment Detection
  
  **presented by**Kwame Amaning
- ### 3:00pm AFITT Refinement and Its Effect on Ligand Strain
  
  **presented by**Brian Kelley
- ### 3:30pm Afternoon Break
- ### 4:00pm A case study: Crystallography supporting design of protein-protein interaction inhibitors.
  
  **presented by **Paul McEwan
- ### 4:30pm Assessing Ligand Strain Energy in BUSTER Protein-complex Structure Refinement
  
  **presented by **Oliver Smart
- ### 5:15pm Linking Crystallographic Model and Data Quality: Theory and Applications
  
  **presented by** Kay Diederichs
- ### 6:30pm Coach to conference dinner
- ### 7:00pm Visit of the Royaumont Abbey and Conference Dinner

### Friday- 16th May 2014

- ### 8:55am Session 6 - Practical Applications to Drug Discovery
- ### 9:00am How to Evaluate Docking and Scoring in Lead Optimization
  
  **presented by **Istvan Enyedy
- ### 9:30am Shaping Suvorexant: Application of Experimental and Theoretical Methods for Driving Synthetic Design
  
  **presented by **Georgia McGaughey
- ### 10:00am Morning Break
- ### 10:30am Lessons learnt from the development of a knowledge-based scoring function and its application outside protein-ligand docking
  
  **presented by **Adrian Schreyer
- ### 11:00am Induction of chemical library design: mimicking protein-protein interactions
  
  **presented by **Neil Hales
- ### 11:30am From hot spots and transient pockets straight to inhibitors of protein-protein interactions
  
  **presented by**Holger Gohlke
- ### 12:00pm Lunch and close

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