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Up Directory CCL 07.06.21 OpenEye EuroCUP Meeting, Sheffield, UK
From: chemistry-request at
To: chemistry-request at
Date: Thu May 24 09:28:25 2007
Subject: 07.06.21 OpenEye EuroCUP Meeting, Sheffield, UK
Dear Colleague,

The final program for OpenEye's first European science meeting, which will
take place on the 21st and morning of the 22nd of June in Sheffield,
England, is available below.

We have scheduled three sessions: Thursday morning will be on chemical
information and modeling, Thursday afternoon on structural information,
and Friday morning on electrostatics. Thursday evening will be the keynote
lecture given by Dr. Dave Timms recently retired from AstraZeneca. There
will also be opportunities to meet the developers of OpenEye software and
learn about our approach to modeling.

I think the line-up is very strong for this first European meeting and hope
you can join us.

Look forward to seeing you in Sheffield,

Anthony Nicholls, President and CEO
OpenEye Scientific Software, Inc.


Notes and reminders:

  - EuroCUP 2007 online registration:
  - Registration is FREE and remains open.
  - Reserve EARLY at the conference hotel as availability is limited! 

The conference hotel is:

Hilton Sheffield Hotel <> 
Victoria Quays, Furnival Road 
Sheffield, S47YA, UK 
tel: 44 (0) 114 252 5500 
fax: 44 (0) 114 252 5511 
email: nicholas.goldwasser^

Please request the special "OpenEye EuroCUP" group rate (meals included)
of GBP140.


Thursday, June 21

8:00 Registration / Tea, coffee, pastries 
8:45 Welcoming remarks, Anthony Nicholls, OpenEye 

Morning : Chemical information and modeling

9:00 "Virtual Exploration of Chemical Space by Database Generation",
Jean-Louis Reymond, University of Berne 
9:40 "Breaking the Language Barrier: Chemical Nomenclature around the
Globe", Roger Sayle, OpenEye 

10:10 Morning break 

10:30 "Using Pareto Methods to Evolve Structure-activity Relationships",
Val Gillet, University of Sheffield 
11:00 "Communicating Chemical Information in a Research Organization",
Joe Corkery, OpenEye 
11:30 "Further Adventures in Shape Space", Paul Hawkins, OpenEye 

12:00 Lunch 

13:15 OpenEye Product Review - Ligand-based design, Paul Hawkins, OpenEye 

Afternoon : Structural information

14:15 "Structure and Property Predictions for Molecular Organic Molecules:
Progress and Blind Tests", Graemer Day, University of Cambridge 
14:55 "Computed Crystal Energy Landscapes for the Prediction and
Understanding of Polymorphism", Sally Price, University College London 

15:25 Afternoon break 

15:45 "Validating Crystallographic Ligands", Brian Kelley, OpenEye 
16:15 "Exploiting Ligand Conformations in Drug Design", Jonas Bostrm,
16:45 "When Pigs Won't Fly...", Gerard Kleywegt, Uppsala University 

17:30 Keynote lecture: "Drug Discovery: Research or Process?", Dave Timms,
AstraZeneca (retired) 

19:00 Conference Dinner


Friday, June 22

8:15 Tea, coffee, pastries 

Morning: Electrostatics

9:00 "Piling Pelion on Ossa: the Tangled Web of Tautomer Preference",
Peter Taylor, AstraZeneca (retired) 
9:40 "Five Years of Field Comparisons and Other Dangers of Letting Chemists
& Physicists Talk", Geoff Skillman, OpenEye 

10:10 Morning break 

10:30 "The Sheffield Solvation Model and Other Stunningly Simple Ideas to
Improve Molecular Modeling", Andrew Grant, AstraZeneca 
11:00 "Protein Electrostatics, Function, and Environment", Jim Warwicker,
University of Manchester 
11:30 "Physically Correct Charges. Think You Use Them? Think Again",
Anthony Nicholls, OpenEye 

12:00 Concluding remarks, Anthony Nicholls, OpenEye


For abstracts, see:

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