Accelerating Drug Discovery from Virtual Screening to Lead Optimization

Drug discovery teams face growing pressure to shorten timelines, improve hit-to-lead progression and manage the rising complexity of data across computational and experimental workflows. Join this webinar to see how AI-driven computational tools and collaborative data environments can overcome these challenges by streamlining virtual screening, molecular design and data management.

The featured speakers will examine an AI-powered quantum chemistry platform for photocatalyst discovery using generative biology and machine learning approaches.

Attendees will explore methods for validating computationally discovered candidates and translating them into functional assays.

The session will also show how a digital design environment enables teams to digitally design molecules, access and analyze experimental and virtual data and collaborate within a single workspace.

The speakers will also explain how a collaborative database supports protocol setup and assay data organization, linking experimental systems with data management workflows. Case studies will illustrate successful implementations with measurable improvements in discovery timelines and hit-to-lead progression.

Register for this webinar to learn how integrated computational and data management approaches can accelerate drug discovery from virtual screening to lead optimization.

Speakers

Ajay Yekkirala, PhD, Co-Founder and SVP, Head of Discovery and Development, Superluminal Medicines Inc.

Ajay Yekkirala, PhD, is Co-Founder and SVP, Head of Discovery and Development at Superluminal Medicines Inc., focusing on target receptor-receptor interactions for various clinical indications, including pain, irritable bowel syndrome, Parkinson’s disease, anxiety and breast cancer applications. Previously, he served as VP Head of Biology at RA Capital Management and Co-Founder & CSO at Blue Therapeutics, where he developed biotechnology platforms and managed investment portfolios in the life sciences sector. He completed his PhD in Pharmacology, Neuroscience and Medicinal Chemistry at the University of Minnesota Medical School and holds postdoctoral training in Neuroscience from Harvard Medical School. Dr. Yekkirala has extensive experience in drug discovery and development, with expertise in neuroimmunology, pain and nerve regeneration research and receptor biology applications.

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Mark Fitzgerald, PhD, Director of Chemistry, Superluminal Medicines Inc.

Mark Fitzgerald is the Director of Chemistry at Superluminal Medicines Inc., focusing on medicinal chemistry solutions for drug discovery applications. Previously, he served as an Associate at Ropes & Gray and a Project Manager at Hera Health Solutions, where he developed small molecule therapeutics and managed chemistry efforts for targeted protein degradation projects. He has extensive experience in structure-based drug design and has contributed to multiple external chemistry FTEs and lead optimization programs. Mr. Fitzgerald completed his PhD in Organic Chemistry at the University of Pennsylvania and holds a BA in Chemistry from Rutgers University. He is recognized for his expertise in medicinal chemistry, ADME optimization and targeted protein degradation technologies.

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Kevin Halligan, Vice President, Schrödinger

Kevin Halligan is Vice President at Schrödinger, focusing on computational drug design and chemical simulation solutions for pharmaceutical and biotechnology research. Previously, he served as Executive Director and Senior Director at Schrödinger, where he managed the company’s life science software and drug discovery services business across New England, New York and eastern Canada. He completed his MS in Biological and Pharmaceutical Biotechnology at St. John’s University and holds a BA in Communication and Media Studies from Fordham University. Mr. Halligan has extensive experience in scientific sales and business development, with a proven track record in growing software platforms for molecular design and biologics drug discovery applications.

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James White, PhD, Director, Collaborative Communications, CDD Vault

James White is Director of Collaborative Communications at Collaborative Drug Discovery (CDD Vault), focusing on scientific communication and digital media solutions for biotechnology research organizations. Previously, he served as Associate at Ropes & Gray and Project Manager at Hera Health Solutions, where he developed venture capital networking platforms and provided support for defense grant applications. He completed his PhD in Cell and Developmental Biology at Vanderbilt University and holds a BS in Biopsychology, Cognition and Neuroscience from the University of Michigan. Dr. White has extensive experience in strategic business development, project management and fostering partnerships within startup ecosystems, with expertise in communicating complex scientific research to diverse audiences.

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