Session Chair: Barry Hardy, Douglas Connect
Monday, 09 February 2015, from 09:00 to 12:00
SUMMARY
This session will discuss the application of computational chemistry, drug design, virtual and experimental screening techniques to the design of inhibitors against malarial targets.
Session Chair: Max Cummings, Johnson & Johnson
Monday, 09 February 2015, from 14:00 to 17:00
SUMMARY
Showcase the use of structure based drug design in overcoming ADME-related challenges in drug discovery, foster discussion of any areas of perceived low-hanging fruit for the application of SBDD to ADME issues.
Session Chair: Lance Westeroff, Quantum Bio
Tuesday, 10 February 2015, from 09:00 to 12:00
SUMMARY
Thanks to a surge in availability of linear scaling algorithms, improved models, and faster hardware, there has been greater use of quantum mechanics and mixed-QM/MM methods in all areas of structure based drug discovery.
Session Chairs: Raul Cachau and Marc Nicklaus, National Institutes of Health
Wednesday, 11 February 2015, from 09:00 to 13:00
SUMMARY
Macromolecular analysis at chemical resolution (ultra-high resolution) is changing the way we view, understand and annotate macromolecules.