2015-03 | CUP XV Event | Santa Fe, NM

Posted by OpenEye Scientific on Mar 1, 2015, 11:59:00 AM

Sunday, March 8, 2015

  • 4:00 - 6:00 pm - Sign-in Opens - Montana Ballroom

Monday, March 9, 2015

OpenEye 2015 - Part 1

  • 8:45 am - Anthony Nicholls CEO - Introduction
  • 9:00 am - Orion: The OpenEye Cloud Platform
    • Bob Tolbert CTO - Modeling in Orion
    • Kevin Schmidt 3D web visualization
    • Matt Geballe OEToolkits and 3D in IPython Notebooks
    • Jharrod LaFon Orion infrastructure
    • Bob Tolbert CTO - Walk through
  • Coffee & Tea
  • 10:50 am - Ligands

Lunch Break

  • 12:00 - 2:00 pm

OpenEye 2015 - Part 2

  • 2:00 pm - Proteins & Physics
  • Coffee & Tea
  • 3:50 pm - Toolkits - The OpenEye Development Platform
    • Brian Cole - Infrastructure: what you need to know
    • Justin Scheiber - Documentation: finding what you need
    • Krisztina Boda - Grapheme: depictions in the protein context
    • Jack Delany - LexiChem: upgrading toolkit informatics
    • Burt LeLand - OEMedChem: matched pairs and more
    • James Haigh - Custom coding at OpenEye

Evening

  • 5:30 - 8:00 pm - Cocktail Reception - Baca Suite

Tuesday, March 10, 2015

Morning Session

Lunch Break

  • 12:15 - 2:00 pm

Afternoon Session

Levinthal Lecture

  • 5:30 pm - Dr. Ivet Bahar Department of Computational & Systems Biology at the University of Pittsburgh - Insights into Neurobiological Events using Computational Modeling and Quantitative Pharmacology Methods

Poster Session

OpenEye

Wednesday, March 11, 2015

Morning Session

  • 9:00 am - Best practices in the construction of predictive models
    • Anthony Nicholls CEO, OpenEye - The quality of models is not strained; It droppeth as the gentle rain from heaven
    • Matt Geballe  OpenEye - Predictive modeling at OpenEye
    • Coffee & Tea
    • Terry Stouch Science for Solutions, LLC - Not all models wear Prada
    • Ed Griffen MedChemica - Whoever wishes to foresee the future must consult the past - early results from mining a (very) large medicinal chemistry knowledge base

Lunch Break

  • 12:15 - 2:00 pm

Afternoon Session

  • 2:00 pm - Predictive Models
    • Jed Zaretski - Predicting the metabolism and reactivity of drug-like molecules at the atom-level using XenoSite
    • Ignacio Aliagas Genentech - The importance of being earnest: Assessing risk in model predictions
    • Brian Goldman Vertex Pharmaceuticals - Application of Gaussian process to iterative library design
    • Coffee & Tea
    • Istvan Enyedy Biogen - ROCS vs. Kriging for predicting hERG inhibition
    • Andy Maynard GlaxoSmithKline - Lead optimization is a messy business: establishing process-centric views of LO

Evening

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