Integrating predicted and empirical data to address complex datasets in drug discovery

Computational platforms producing molecular dynamics simulations, binding affinity predictions, and experimental validation data are excellent tools for drug discovery development. However, as the volume and complexity of both predicted and empirical data in protein drug discovery increase, the ability to effectively harmonize these diverse data streams is becoming more and more essential to continue accelerating therapeutic development.

Join Congruence Therapeutics' experts Dr. Lee Fader, Dr. Jeremy Dupaul-Chicoine, and Dr. Maximilian Ebert, as they discuss the innovative integrative methods that can manage, analyze and act on various protein data. Discover how capturing biophysical properties of proteins in their full and dynamic states allows for identification of functional pockets and novel chemical matter, creating a bespoke picture to elevate your drug discovery efforts.

Key learning objectives:

• Understand approaches to streamlining the integration of chemistry, biology, and computational data streams in modern drug discovery with knowledge bases such as Congruence’s Revenir™
• Explore methods for optimizing resource allocation and prioritization between computational predictions and experimental validation
• Discover novel approaches to harmonizing diverse data sources for identification of therapeutic opportunities
• Explore applications of generative AI models in designing for novel targets and binding pockets

Who should attend?

• Scientists in biologics, drug discovery, protein related research and data research.

Certificate of attendance

All webinar participants can request a certificate of attendance, including a learning outcomes summary, for continuing education purposes.

Presenter: Dr. Lee Fader (VP, Congruence Therapeutics)

Dr. Lee Fader is the Vice President of Chemistry at Congruence Therapeutics, specializing in small molecule drug discovery and development. Previously, he held leadership positions at Ventus Therapeutics and Inception Sciences, where he advanced early-stage therapeutic programs. His industry experience includes significant contributions at Vertex Pharmaceuticals and an extended tenure at Boehringer Ingelheim, where he progressed from Research Scientist to Principal Scientist.

Presenter: Dr. Jeremy Dupaul-Chicoine (Associate Director, Congruence Therapeutics)

Dr. Jeremy Dupaul-Chicoine is a biologist with close to 10 years of experience in drug discovery. At present, he is the Associate Director of Biology at Congruence Therapeutics where he is also the biology lead for the GBA1 Allosteric Modulator Program. Over his earlier career he has held a variety of scientific roles including at EnGene Inc and was involved in the preclinical research of Detalimogene.

Presenter: Dr. Maximilian Ebert (Executive Director, Congruence Therapeutics)

Dr. Maximilian Ebert is the Executive Director of the Computational Chemistry Group at Congruence Therapeutics, specializing in molecular dynamics and free energy calculations. Prior to this, he was instrumental in advancing the Molecular Operating Environment (MOE) platform at Chemical Computing Group, contributing both novel applications and business development strategies. Dr. Ebert holds a PhD in biochemistry from the University of Montreal, with a focus on biocatalysis and enzyme design, and a master’s degree in chemical engineering from the University of Dortmund, Germany.

Moderator: Olivia Long (Editorial Team, SelectScience)