Driving Innovation through Molecular Modeling
Note that, in addition to drug discovery, this year’s meeting will include sessions on formulations optimization for drug delivery, agriculture and printing/polymers.
The event is free, BUT there is limited space and a Registration Number is required.
LOCATION: The Hebrew University, The Robert H Smith Faculty of Agriculture, Food and Environment, Rehovot
08:45 - 09:15 Registration, Coffee Bar
09:15 - 09:40 Opening remarks by The Hebrew University and Schrödinger
Morning DRUG DISCOVERY TRACK (09:30-13:00). By Dr. Katalin Phimister
09:40 - 11:00 Overview of recent developments & new features
11:00 - 11:30 Coffee break
11:30 - 12:00 Applications of Machine Learning approaches
12:00 - 13:00 Examples of using AlphaFold structures in structure-based design projects
14:00 - 17:00 Life Sciences modeling Clinique (bring your laptops and deep questions).
13:00 - 14:00: Complimentary Lunch
Afternoon FORMULATIONS TRACK (14:00- 17:00)
14:00 - 15:00 Overview of Formulations Modeling - including applications for pharma, inks, 3D printing, polymers, batteries and agricultural chemicals. By Dr. John Shelley
15:00 - 15:30 Coffee break
15:30 - 16:00 Case Study 1: Insights into the dissolution of ASDs (Amorphous Solid Dispersions) using molecular modeling. By Dr. Atif Afzal
16:00 - 16:30 Case Study 2: Coarse-grained modeling of ibuprofen solubilization via cyclodextrin inclusion complexes. By Dr. David Nicholson
16:30 - 17:00 Case Study 3: Characterizing droplet size and molecular interactions in drug formulation Nano emulsions. By Dr. John Shelley
Afternoon Drug Delivery Clinique -Bring your laptops and deep questions (14:00 - 17:00)