XtalPi, a global leader in AI- and robotics-powered drug discovery, has announced a strategic collaboration with DoveTree LLC, the company founded by Harvard University Professor Gregory Verdine. The partnership, formalized through a Letter of Intent signed on June 23, 2025, represents one of the largest AI-driven drug discovery deals to date, with upfront payments totaling $100 million and potential milestone payments exceeding $10 billion.
Partnership Structure and Financial Terms
Under the collaboration agreement, XtalPi will receive $51 million within 10 days of executing the definitive agreement, followed by an additional $49 million within 180 days. The company is also eligible for development and commercial milestone payments that could exceed $10 billion, along with tiered, single-digit royalties on annual net product sales. In return, DoveTree will obtain exclusive global development and commercialization rights to all resulting therapeutics.
The partnership will focus on discovering and developing small molecule and antibody drug candidates for multiple DoveTree-selected targets addressing three key therapeutic areas: oncology, autoimmune disorders, and neurological diseases.
Gregory Verdine's Track Record in Drug Development
Professor Gregory Verdine, the Erving Professor of Chemistry at Harvard University, brings exceptional credentials to the collaboration. Appointed to Harvard's faculty at age 29, he became the Chemistry Department's youngest tenured professor in nearly five decades at age 35. His scientific contributions include elucidating the molecular mechanism of epigenetic DNA methylation and revealing pathways by which genotoxic forms of DNA damage are identified and eradicated.
Verdine has pioneered the development of stapled peptides, a new class of therapeutics that enables drug development against targets long considered undruggable. His entrepreneurial success spans over ten biotechnology companies, including five publicly listed entities: Enanta Pharmaceuticals (NASDAQ: ENTA), Tokai Pharmaceuticals (NASDAQ: TKAI), and Wave Life Sciences (NASDAQ: WVE).
Three therapeutics spearheaded by Verdine have received FDA approval: romidepsin (Istodax®), paritaprevir (a component of Viekira Pak®), and glecaprevir (a component of Mavyret®). His current role as Venture Partner at Andreessen Horowitz (a16z) follows similar positions at Apple Tree Partners, Third Rock Ventures, and WuXi Healthcare Ventures.
XtalPi's AI-Robotics Platform
XtalPi Holdings Limited, founded in 2015 by three MIT physicists, operates an innovative R&D platform powered by quantum physics, artificial intelligence, and robotics. The company's end-to-end platform integrates first-principles calculations, AI algorithms, high-performance cloud computing, and standardized automation systems to provide digital and intelligent R&D solutions across multiple industries, including pharmaceuticals, materials science, and agricultural technology.
"By integrating XtalPi's cutting-edge AI capabilities with decades of drug development expertise, we have a unique opportunity to deliver transformative therapies to patients worldwide," stated Professor Verdine.
Strategic Implications
The collaboration represents a significant validation of AI-driven drug discovery platforms and their potential to accelerate therapeutic development. By combining XtalPi's computational capabilities with Verdine's proven track record in bringing drugs to market, the partnership aims to address some of the most challenging therapeutic areas in modern medicine.
The focus on oncology, autoimmune disorders, and neurological diseases aligns with areas of high unmet medical need, where traditional drug discovery approaches have faced significant challenges. The substantial financial commitment, including the potential for over $10 billion in milestone payments, reflects the ambitious scope and expected impact of the collaboration.
