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 Tuesday, July 8 at the Parque Científico de Barcelona 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: 

Tuesday, July 8, 2025

From 09:30 AM to 15:00 PM CET

Program:  

Part 1: Biologics

09:30 - 11:30 

Accelerating biologics design through computational modelling and collaborative enterprise informatics

Dan Cannon, Principal Scientist II, 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.

Part 2: Small-molecule

12:00 - 14:00 

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 (the so-called AI revolution). In this workshop we will see how Schrödinger has been leveraging those technological revolutions to accelerate the small-molecule drug discovery process.

In the first part of this workshop, we will present a few physics-based methods Schrödinger has been recently developing and then we will see how those techniques can efficiently be combined to efficiently and collaboratively find new drug candidates. 

Lunch

14:00 - 15:00

Location:

Parque Científico de Barcelona - Sala Dolors Aleu - Edifici Clúster II

c/Baldiri Reixac, 4-12 i 15, Carrer de Baldiri Reixac, 15, 08028 Barcelona, Spain 

Registration is now closed