2010-03 | CUP XI | Santa Fe, NM

Posted by OpenEye Scientific on Mar 7, 2010 12:00:00 AM

Sunday, March 7, 2010

Afternoon session

Monday, March 8, 2010

Morning session: Welcome

    • 8:45 Anthony Nicholls: Updates and Philosophies..
  • Monday Lunch: Overview of OpenEye Software by OpenEye Staff

Afternoon session

  • Fragment-based Drug Discovery: Primary tool or tactic of last resort?

    What and when is the appropriate use of FBDD?
    • 2:30 Anthony Nicholls, OpenEye - Perspective: Information content and fragments
    • 2:45 Jeff Blaney, Genentech - There’s something about fragments...
    • 3:30 Tea
    • 4:00 Lakshmi Narasimhan, Pfizer - Low molecular weight leads for biotin Carboxylase and XIAP: Identification by virtual screening, elucidation of binding mode by NMR/Xray and elaboration by library design
    • 4:30 Don Huddler, GlaxoSmithKline - Fragment Based Lead Discovery: A Large Pharma Perspective
    • 5:00 Philip Hajduk, Abbott - Fragmented Thinking...
    • 5:30 Finish

Evening session

Tuesday, March 9, 2010

Morning session

Afternoon session

  • MMPB: Panacea, useful or useless?

    Some rely on it, some find it useful and some can't get anything out of it at all. Some leading lights will be asked to give their opinion.

Levinthal Lecture

    • 5:30 Molecular Evolution: The Created and the Creators and the Puzzle of Design, Dr. Ajay Jain, UCSF
    • 6:30 Finish

Wednesday, March 11, 2010

Morning session

  • Statistical Reasoning in Molecular Modeling and Ligand Design


    How best to use the information we have, whether from ligands, proteins or literature
    • 8:45 Anthony Nicholls, OpenEye - Perspective: Ligands and information content
    • 9:00 Ajay Jain, UCSF - Not QSAR: Ligand-based binding pocket induction for activity prediction
    • 9:30 Evan Bolton, NCBI - Shape and feature analysis of PubChem's biological data
    • 10:00 Tea
    • 10:30 Greg Tawa, BHSAI - Computation of 3D Queries for ROCS Based Virtual Screens
    • 11:00 Ryszard Czerminski, AstraZeneca - QSAR's null hypothesis
    • 11:30 Terry Stouch - Statistical reasoning with ligands: Is it possible?

Afternoon session

Evening session

  • Conference dinner for attendees

Thursday, March 12, 2010

Morning session

  • VIDA Extensions and Enterprise Deployment - Technical Session - (organizer: Joe Corkery, OpenEye)
    • 9:00 Kevin Schmidt, OpenEye - Customizing and Extending VIDA: An Overview
    • 9:30 Brian Kelley, OpenEye - VIDA Labs: A Peek Inside The Future of VIDA
    • 10:00 Break
    • 10:30 Joe Corkery, OpenEye - Enterprise Deployment (aka Evading Corporate IT)
    • 11:00 Matt Stahl, OpenEye - Supervidafragilisticsomegashapespicoli

Topic: Event, CUP, CUP Event