OpenEye Scientific is now part of Cadence

2014-03 | CUP XIV | Santa Fe, NM

2014-03 | CUP XIV | Santa Fe, NM

Monday, March 3, 2014

  • 8:00am Tea & Pastries

  • 8:45am Introduction presented by Anthony Nicholls

  • 9:00am Application Releases presented by Geoff Skillman

  • 9:10am pKa Prospector presented by Geoff Skillman

  • 9:20am Crystallography presented by Greg Warren

  • 9:40am ROCS Your Project With Interactive 3D Similarity Search presented by JW Feng and Brian Cole

  • 10:00am Tea & Pastries

  • 10:30am OEDocking presented by Greg Warren

  • 11:00am SZMAP presented by Matthew Geballe

  • 11:30am Pocket Similarity-Based Off-Target Prediction: A benchmark study presented by Lidio Meireles and Bob Tolbert

  • 12:00pm Lunch

  • 2:00pm Szybki is Cool presented by Anthony Nicholls

  • 2:20pm Freeform is Cooler presented by Christopher Bayly

  • 3:00pm Polymorph presented by tom darden

  • 3:10pm Brood Update presented by Geoff Skillman

  • 3:30pm Tea & Pastries

  • 4:00pm Best VIDA Ever presented by Joseph Moon

  • 4:15pm TK Palooza presented by Brian Cole

  • 4:45pm Not Just Pretty Pictures - Why Visualization Matters presented by Krisztina Boda

  • 6:00pm Reception

Tuesday, March 4, 2014

  •  Tea & Pastries

  • 9:00am Water, Thermodynamics, and Drugs, Oh My! presented by Eric Manas

  • 9:45am Indecent Solvent Exposure presented by Vickie Tsui

  • 10:00am Experimental Errors: How big are they really? How common are systematic errors? How do they propagate? presented by Peter Guthrie

  • 9:00am Diffuse X-Ray Scattering to Validate Predictions from Molecular Dynamics Simulations presented by Michael Wall

  • 12:00pm Lunch

  • 2:00pm Overcoming the Challenges of Sharing SAR Knowledge Between Organizations to Accelerate Drug Hunting presented by Ed Griffen

  • 2:00pm Sharing Chemical Relationships Does Not Reveal Structurespresented by S Joshua Swamidass

  • 2:00pm My Company Will Never Use The Cloud presented by Jharrod LaFon

  • 2:00pm Secure Sharing of Data: Where Technology Meets the Law presented by Richard Bone

  • 2:00pm Secure Fingerprint Comparison presented by Bob Tolbert

  • 5:30pm Levinthal Lecture: The Power of the Intangible presented by Jeremy Tame

  • 7:00pm Computational Drug Repositioning: It Really Works presented by Steven Kearnes

  • 7:00pm Target-Focused Library Driven Discovery of Influenza Endonuclease Inhibitors presented by Victoria Feher

  • 7:00pm SmartGraph: A Bioactivity Network Analysis Engine based on CARLSBAD presented by Tudor Oprea and Gergely Zahoransky-Kohalmi

  • 7:00pm Associating Diseases to Human Targets in CARLSBAD presented by Guixia Liu

  • 7:00pm On Similarity: Some Guidelines from looking at Small Molecule Drugs presented by Tudor Oprea, Jeremy Yang and Oleg Ursu

  • 7:00pm Addressing Toxicity Risk when Designing and Selecting Compounds in Early Drug Discovery presented by Matthew Segall

  • 7:00pm One Parameter QSAR – Prediction by General Similarity (PGS) presented by Anthony Nicholls, tom darden, Geoff Skillman and Terry Stouch

  • 7:00pm Chemistry is Beautifulpresented by Krisztina Boda

  • 7:00pm Quantum Refinements of Crystal Structures presented by Laszlo Fusti-Molnar

  • 7:00pm Effective Sample Size in Virtual Screening presented by Mark McGann

  • 7:00pm SZMAP TK: Working with Water presented by Matthew Geballe and Mike Word

  • 7:00pm Sampling Crystal Structures with Force Field Energy presented by Denny Elking

  • 7:00pm Making SZYBKI Cool presented by Stan Wlodek

Wednesday, March 5, 2014

  • 8:00am Tea & Pastries

  • 9:00am Looking for Cues to SAR - an interactive discussion presented by Pat Walters

  • 9:00am (Quantitative) Structure-Activity Relationships: Guiding compound design and selection presented by Matthew Segall

  • 9:00am Poses that Belong Together - an early attempt at SAR-constrained docking presented by Stephen Johnson

  • 12:00pm Lunch

  • 2:00pm ¡Viva La (Bayesian) Revolución! presented by Anthony Nicholls

  • 2:00pm Curb Your Enthusiasm with Bayes Factors presented by Kim Branson

  • 2:00pm Story Time and Puppet Show with Mr. Bayes presented by John Chodera

  • 6:30pm Conference Dinner