Accelerating molecular discovery using an in silico design platform

Take a break from your other obligations and let’s talk! We are inviting you to join us on Friday, June 27th at the Hotel Essential by Dorint Basel City for an extended version of our Lunch and Learn series where we will introduce the diverse capabilities of Schrödinger’s molecular design platform. Schrödinger scientists will present how modern physics-based simulation methods as well as machine learning can help to create better molecules faster and answer your questions around computer-driven molecular design.

Date & Time:

Friday, June 27, 2025

From 10:00 AM to 16:00 PM CET

Program:

Part 1: Small Molecule

10:00 – 12:00

Accelerating small molecule drug discovery combining physics-based methods, machine learning techniques, and digital chemistry

David Rinaldo, Senior Principal Scientist, Applications Science

Drug design is a highly complex task literally consisting in finding a molecule with defined properties in the ocean of all possible molecules. In the past 10 years the field has experienced dramatic changes including an explosion in the size of commercial chemical libraries, a significant increase in available computing power (GPU, cloud computing), and significant advances in machine learning techniques. In this workshop, we will see how Schrödinger has been leveraging those technological revolutions to accelerate the small molecule drug discovery process.

First, we will present a few physics-based methods that Schrödinger has been recently developing and then we will see how those techniques can be combined to efficiently and collaboratively find new drug candidates.

+ Lunch

Part 2: Biologics

13:00 – 16:00

Accelerating biologics design through computational modelling and collaborative enterprise informatics

Dan Cannon, Principal Scientist II, Applications Science

Jelena Vucinic, Senior Scientist I, Applications Science

This Schrödinger workshop will explore how to use physics-based computational methods (BioLuminate, FEP+) and collaborative enterprise informatics (LiveDesign) to accelerate biologics design. We will present case studies on large-scale mutagenesis for affinity, analyzing and correcting developability issues, variant selection based on cross-reactivity, multi-parameter ideation, and more. Whether you’re new to computational tools or looking for a deeper dive into advanced methods, this session is designed to provide valuable insights for all experience levels.

+ Coffee and Cake

Location:

Hotel Essential by Dorint Basel City
Schönaustrasse 10, CH-4058 Basel
Click here to view map of room location.