Esam Abualrous | Principal Scientist
Schrödinger

Festival of Biologics Day 2 @ 14:20

Advances in Structure-Based Computational Modeling and Collaborative Enterprise Informatics for Biologics

Optimizing biologic drug candidates to enhance favorable traits or minimize liabilities often demands significant experimental effort. This presentation will showcase recent progress in our physics-based, structure-guided computational methods that help accelerate the optimization process. It will cover key challenges in antibody engineering—including predicting antibody-antigen binding affinity, improving structural stability, and addressing developability concerns. The talk will also illustrate how these approaches can be integrated within a collaborative informatics platform for biologics discovery, which can merge machine learning (ML) results, experimental data and advanced modeling, execution, and analysis tools to streamline decision-making and centralize essential project information.