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From: chemistry-request at
To: chemistry-request at
Date: Mon Feb 25 03:34:48 2008
Subject: 08.04.16 OpenEye's 2nd European Science Meeting, EuroCUP II, Strasbourg, France
Dear Colleague,

Below is the preliminary program for the 2nd edition of our European science
meeting, EuroCUP II, which will be held in Strasbourg on April 16-18, 2008:

Keynote Lecture: Prof. Dr. Hugo Kubinyi:

"Living in Castalia - The Pitfalls in 'Rational' Design"

Session 1. Shape & Electrostatics

- Chris Bayly, Merck & Co: "EPIC: Accurate Molecular Polarizabilities
Based on Continuum Electrostatics"
- Paul Hawkins, OpenEye: TBA
- Roger Sayle, OpenEye: "Taming the Hydroxyl Rotor"
- Uwe Richter, Jerini AG: TBA
- Gerhard Wolber, Inteligand: "Shape, Color and Pharmacophores:
the Impact of Alignment on Virtual Screening"

Session 2. Lead Optimization & Structure-based Design

- Stefan Schmidt, AstraZeneca: "On the Impact of Virtual Screening in
Genuine Lead Generation Campaigns"
- John Delaney, Syngenta: "Dirt Squad! - Confessions of an AgroScientist"
- Andrew Leach, AstraZeneca: "The Effects of Structural Changes on Molecular
Properties: Matched Molecular Pair Analysis as a Tool for Lead Optimisation"
- Andreas Evers, Sanofi-Aventis: "Comparative Evaluation of Protein- and
Ligand-based Virtual Screening Protocols"
- Didier Rognan, CNRS: "Fingerprinting Protein Cavities and Protein-ligand

Session 3. Physical Property Prediction

- Peter Kenny, AstraZeneca: "A Survey of Halogens: Dummkopf, Where Have You
Put the Lone Pairs?"
- Holger Gohlke, J.W. Goethe-University: "Unveiling the Janus Face of
Organic Fluorine"
- Jurgen Bajorath, University of Bonn: "Tales of the Unexpected Similarity"
- Anthony Nicholls, OpenEye: "Halogens, Smalogens: the Electrostatics
of Awkward Compounds"
- Bernd Beck, Boehringer-Ingelheim: TBA

Session 4. Prospective Science

- Geoff Skillman, OpenEye: TBA
- Kim Branson, Stanford University: "Ligand-based Methods for Inhibitors
of Abeta Aggregation: Starting Points for Novel Alzheimers Therapeutics"
- Graeme Day, University of Cambridge: "A decade of blind tests of crystal
structure prediction: organisation, outcomes and future"
- Grant Churchill, University of Oxford: "A Shape-based Journey from
a Second Messenger to a Nanomolar Drug: NAADP to Ned-14"

Abstracts submissions are now closed for talks but remain open for posters
until March 28th, 2008.

There will be a special Toolkit session on Wednesday morning, April 16th.
This is not training but an opportunity for toolkits users to share
interesting things they have created with our tools as well as for us
to share more technical details of current and new releases.

Please note that we do NOT charge any registration fee - delegates only
need to cover their travelling and accommodation costs. As space is limited
at the conference hotel, we encourage you to register early at:

We look forward to seeing you in Strasbourg!

Kind regards,

Vincent Vivien
Director of European Accounts
OpenEye Scientific Software
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