Date: 16 Apr 2026 (Thursday)
Time: 4pm BST | 12pm EDT | 9am PDT | 6pm CEST
Accurate predictions of binding affinity are the holy grail of early-phase discovery, enabling teams to significantly reduce the synthesis and testing burden in lead optimisation. However, understanding why and how a molecule binds (or won’t bind) is equally as important for shaping successful design strategies.
For the first time, teams can access industry-leading affinity predictions alongside clear, visual insights into the molecular interactions driving potency, all without the need for a protein structure.
In this webinar, you’ll be the first to see the new QuanSA™ PyMOL GUI in action. QuanSA achieves accuracy equivalent to leading simulation-based methods such as FEP, at a fraction of the computational cost, through its physics-informed machine learning approach that explicitly models the factors governing molecular recognition and binding.
Through the new PyMOL GUI, you can now access QuanSA’s predictions in a highly visual, intuitive environment, seeing not just an affinity score, but the key molecular interactions driving it, so you can make confident, informed decisions to optimise the potency of your molecules.
Join Himani Tandon, PhD, and Kyle Kroeck, PhD, for a live demonstration of the new interface and how it supports real lead optimisation scenarios.
Meet the speakers
Himani Tandon, PhD
Principal Scientist
Himani is a Principal Scientist at Optibrium, specialising in computational drug discovery. With a PhD in Bioinformatics and Computational Biology from the Indian Institute of Science, she has extensive experience in AI/ML techniques for modeling drug candidates, including small molecules and peptides. She is also involved in 3D ligand-based and structure-based drug design.
Before joining Optibrium, Himani completed a postdoctoral fellowship at the MRC Laboratory of Molecular Biology, focusing on cell reprogramming and transcriptomics.
Kyle Kroeck, PhD
Principal Scientist
Kyle is a Principal Scientist at Optibrium, where he specialises in the application and development of advanced computational methods for drug discovery. With a robust background spanning structural biology and computational chemistry, Kyle focuses on leveraging 3D structure and ligand-based design, specifically through the BioPharmics platform, to accelerate pharmaceutical lead discovery and optimisation. His expertise includes molecular docking, virtual screening, and the integration of experimental data from X-ray crystallography and Cryo-EM to drive rational drug design.
Prior to joining Optibrium, Kyle held key research positions as a Senior Scientist at Schrödinger and a Scientist at Xtal BioStructures. He earned his Ph.D. in Biomedical Science from the University of South Florida, where his doctoral research focused on targeting bacterial resistance and cancer metastasis through structure-based approaches. Throughout his career, including a postdoctoral fellowship at Virginia Commonwealth University, Kyle has contributed to numerous high-impact publications exploring molecular recognition, protein-ligand interactions, and the development of novel therapeutic inhibitors.
