Boston, MA • Nov. 9, 2017
OpenEye invites you to miniCUP Boston on Thursday, November 9, 2017. Come preview, learn about, and experience Orion, OpenEye's cloud-native, auto-scaling platform for computer-aided drug design.
This event will be held at the new Merck & Company at 33 Avenue Louis Pasteur, Boston, MA and will take place from 9am - 5pm followed by a cocktail reception from 5 - 7pm. Lunch will be provided.
Agenda
Morning Session
- 9:00 - Registration - light breakfast
- 9:30 - Welcome - Science in the Age of Cloud - Anthony Nicholls, CEO
- 10:00 - A CEO, a hot stack and a live demo - what could possibly go wrong? – Anthony Nicholls, CEO
- 10:30 - Tea
- 11:00 - Workfloe programming - OE Cubed! - Matt Geballe
- 11:30 - Cloud-based affinity prediction - a collaborative experiment in Orion - Christopher Bayly
- 12:00 - Guest Speaker - Building next-generation forcefields and moving free energy calculations to the cloud - John Chodera - Chodera Lab, Memorial Sloan Kettering Cancer Center
- 12:30 - Lunch
Afternoon Session
- 1:30 - Spruce and MMDS - preparing and delivering model-ready protein structures - Bob Tolbert, CTO
- 2:00 - Guest Speaker - How Can Your Data and Knowledge Outlive the Program? – Meir Glick, Merck & Co.
- 2:30 - Rapid macrocycle conformation generation in OMEGA - Paul Hawkins
- 3:00 - Tea
- 3:30 - Industrializing small molecule crystal predictions with application to protein-ligand binding - Tom Darden
- 4:00 -Guest Speaker - Leveraging ORION for Large-scale QM calculations to accurately estimate small molecule torsional strain: Application to virtual screening and structure-based design - Brajesh Rai, Pfizer
- 4:30 - High precision experiment and low precision theory- how useful is modeling water with SZMAP and MD? - Greg Warren
- 5:00 - Reception
- 7:00 - Close
To reserve your spot for the event please send an email to eastcoast@eyesopen.com as soon as possible as space is limited. There is no charge to attend.