CCL:G: FINAL SCHEDULE - OpenEye EuroCUP IV - April 28-30 - Cologne, Germany

 Sent to CCL by: "Vincent  Vivien" [vincent+/-eyesopen.com]
 Dear Colleague,
 The final schedule for EuroCUP IV, OpenEye's 4th annual European science
 meeting, held this year in  Bergisch-Gladbach (near Cologne) Germany on April
 28-30, 2010, is now available. In addition to the 4 Main Sessions, we will have
 a half-day Toolkit Session where toolkit users will have the opportunity to
 share some of their work. A 2-day training course on Shape-based Virtual
 Screening will also be offered - see below for details.
 Abstract submissions for posters are still welcome until the
 --------------------------------------------------
 Deadline for registration: Sunday March 28th, 2010
 --------------------------------------------------
 Please note that you do NOT need to be a customer of OpenEye to participate!
 ----------------------------------------------------------------------------
 - Program details (also appended below): http://www.eyesopen.com/about/events/cups-2010/eurocup4-program-details.html
 - Registration: http://www.eyesopen.com/forms/eurocup4_reg.html
 As always, except for the training, there is NO registration cost for the
 meeting. Attendees need only cover travel and accommodation.
 We very much hope you will be able to join us in Bergisch-Gladbach!
 With kind regards,
 Vincent Vivien
 vincent[*]eyesopen.com
 ----------------
 GENERAL SCHEDULE
 ----------------
 - Mon & Tue, April  26-27th (9:00 - 18:00): Training on Shape-Based Virtual
 Screening (requires additional registration)
 - Wed, April 28th (9:00 - 12:30): Toolkit Session (Optional technical session
 for delegates interested in OpenEye Toolkits)
 - Wed, April 28th (15:00) to Fri, April 30th (12:00) EuroCUP IV Main Sessions
 (Main conference)
 ---------------------------------------------
 PROGRAM DETAILS FOR TOOLKIT AND MAIN SESSIONS
 ---------------------------------------------
 Wednesday, April 28th, 2010
 ---------------------------
 Session 0: OpenEye Toolkits (Optional technical session / 9:00 - 12:30)
 ---------------------------
 - Phillip Sawunyama, OpenEye, USA - "11 Toolkits. What Can You Do With
 Them?"
 - Dave Cosgrove, AstraZeneca, UK - "Using the OEToolkits to Go Beyond the
 Pale"
 - Bob Tolbert, OpenEye, USA - "Better Depictions with Ogham"
 - Craig Bruce, AstraZeneca, UK - TBA
 - Andrew Dalke, Dalke Scientific, Sweden - "Dataflow vs. Scripting
 Languages"
 - Trevor Kramer, Vertex, USA - "OEChem MySQL Storage Engine"
 ---------------------------------
 Session 1: Shape & Electrostatics (16:00 - 19:00)
 ---------------------------------
 - Neil Hales, AstraZeneca (retired) and University of Manchester, UK -
 "Shape Up or Ship Out: Library Design in 3D"
 - Andreas Evers, Sanofi-Aventis, Germany - "Multiple Ligand Alignments by
 ROCS-based Similarity"
 - Frederico Nardi, Sanofi-Aventis, France - "Topological Reshuffling: A
 Geometrically Rationalized Me Too Approach"
 - Peter Taylor, AstraZeneca (retired), UK - "Triage for Tautomers:  from
 Casualties to Computation"
 - Paul Hawkins, OpenEye, USA - "EON: I Cannot Tell You What It Is, You Have
 to See It for Yourself"
 --------------
 Poster session
 --------------
 Thursday, April 29th, 2010
 ---------------------------------
 Session 2: Physics-based modeling (9:00 - 12:00)
 ---------------------------------
 - Jens Nielsen, University of Dublin, Ireland - "Calculating Electrostatic
 Energies in Proteins: Benchmarking on Multiple Types of Experimental Data"
 - Richard Law, Evotec, UK - "Use of FMO QM Calculations in Fragment-aided
 and Peptide Mimetic Based Drug Design"
 - F. Javier Luque, University of Barcelona, Spain - "Solvent Effects in
 Biomolecules: From First-Principles to Applications in Drug Discovery"
 - Stan Wlodek, OpenEye, USA - Can a Fast Estimate of Binding Entropy Be
 Accurate?
 - Holger Gohlke, University of Dsseldorf, Germany - "Neither Small nor
 Unimportant, Yet Overlooked: How Much Unbound Ligands Contribute to the
 Thermodynamic Inhibition profile of Thrombin Inhibitors"
 --------------------------------------------------
 Session 3: Are proteins useful for drug discovery? (14:30 - 17:00)
 --------------------------------------------------
 - Mike Word, OpenEye, USA - When Is PB Wrong, and What Can We Do About It?
 - Oliver Korb, CCDC, UK - "Ensemble Docking Revisited"
 - Mark McGann, OpenEye, USA - "Hybrid Docking"
 - Steve Muchmore, Abbott Laboratories, USA - "RocsDock II:  Shape-Based
 Pose Generation Using Known Structures As Templates"
 --------------------
 Castalian Allocution
 --------------------
 - Jean-Louis Reymond, University of Berne, Switzerland - "Mining the
 Chemical Space for Drug Discovery"
 -----------------
 Conference Dinner
 -----------------
 Friday, April 30th, 2010
 --------------------------------------
 Session 4: Ligand-based modeling rules (9:00 - 12:00)
 --------------------------------------
 - Hugo Kubinyi, BASF and University of Heidelberg (retired), Germany -
 "Scaffold Hopping - A Successful Design Strategy"
 - Daniel Warner, AstraZeneca, UK - "WizePairZ - A Novel Algorithm to
 Identify, Encode and Exploit Molecular Matched Pairs with Unspecified Cores in
 Medicinal Chemistry"
 - Jonas Bostrm, AstraZeneca, Sweden - "Exploiting the Amazon.com Feature
 People who boughtalso bought  in Reagent Selection"
 - Jrgen Bajorath, University of Bonn, Germany - "Extracting SAR Rules from
 Compound Data"
 - Geoff Skillman, OpenEye, USA - "Exploring Local Shape Space with Fragment
 Replacement"
 ----------------------
 ADDITIONAL INFORMATION
 ----------------------
 Deadlines
 ---------
 - Poster submission deadline for student bursaries: March 24th, 2010
 - Non-student poster submissions and registration deadline: March 28th, 2010
 -----
 Hotel
 -----
 The location of the meeting and official hotel is the Schlosshotel Lerbach (http://www.schlosshotel-lerbach.com/en/home). You do NOT
 need to book the hotel yourself, OpenEye will make the reservation for you with
 the information you will provide in the registration form.
 ------
 Travel
 ------
 - Aim for Frankfurt (FRA). Then take a train (http://www.deutschebahn.com/site/bahn/en/start.html) to the
 main train station in Cologne (56-min ride). Booking Lufthansa flights to FRA
 allows you to get to Cologne's main train station (which has the airport code
 QKL) as a single "flight" ticket. A 25-min taxi ride then takes you to
 the hotel.
 - Aim for Bonn/Cologne (CGN) (http://www.koeln-bonn-airport.de/index.php). Then a 20-min
 taxi ride gets you to the hotel.
 --------------------------------------
 Shape-Based Virtual Screening Training
 --------------------------------------
 Virtual screening can be defined as any method that ranks a set of compounds by
 some score. In shape-based ligand-centric virtual screening, molecules are
 ranked on the basis of their similarity to a known active molecule in
 three-dimensional shape space, using atom-centered Gaussian functions to allow
 rapid maximization of molecular overlap.
 - Who should attend: This workshop is geared toward new or intermediate users.
 Medicinal chemists and experienced modelers who are making the transition to
 OpenEye Scientific Software applications will also find this workshop
 invaluable.
 - What you will learn: This is a hands-on workshop that focuses on good modeling
 practices and a step-by-step approach to ligand-based virtual screening. You
 will follow the standard virtual screening workflow and you will learn all the
 need-to-know stuff in a dynamic group setting. After you complete this workshop,
 you will be ready to tackle your own real-world ligand-based virtual screening
 problems.
 - OpenEye Software Applications Used: EON, FILTER, OMEGA (with FLIPPER),
 QUACPAC, ROCS, VIDA, VIVANT.
 ------------------
 Costs and Payments
 ------------------
 Except for the training, the cost only covers delegates' accommodation and full
 board.
 - Training on Shape-based Virtual Screening (2 nights / 2 days): 1100 USD
 (training registration fee) + 500 euros (accommodation and full board)
 - Toolkit Session (1 night / 0.5 day): 250 euros
 - Main EuroCUP IV Sessions (2 nights, 2 days): 550 euros
 Prepayment for the Shape-Based Virtual Screening training fee is required before
 the meeting. It can be made online by credit cards after verification from the
 EuroCUP organizers (vincent[*]eyesopen.com) that you are in the training
 session. Payments covering the Training accommodation, Toolkit session and Main
 EuroCUP III sessions will be made directly to the hotel upon checkout, together
 with any incidentals, unless prior arrangement has been made with EuroCUP
 organizers.
 Please see the registration form for details of what's included, as well as
 pricing options for local delegates.
 -----------------
 Student Bursaries
 -----------------
 A limited number of student bursaries are available for poster presentations.
 These will cover the costs associated with attendance to the Main EuroCUP IV
 Sessions, i.e. accommodation and full board. For consideration, please use the
 registration form to submit your poster abstract and use the comments field to
 precise that you are applying for a student bursary.