Schrödinger’s Israel User Group Meeting 2022

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 

AGENDA:

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).

LUNCH

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)