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BOSTON, May 29, 2026 /PRNewswire/ — XtalPi (2228.HK), an AI- and robotics- powered drug discovery platform, announced that its strategic collaboration with innovative biopharmaceutical company DoveTree Medicines Unus Inc. has achieved substantial progress, and that XtalPi has received the second payment under the agreement.
Since the two parties entered into a collaboration in June 2025 with a total possible aggregate value of up to US $5.99 billion if resulting in an approved product directed to each of the targets of interest to DoveTree, the partnership has made significant progress. All patents related to the pipeline from the initial upfront payment of US$51 million have now been fully transferred to DoveTree. One preclinical candidate (PCC) has advanced into IND-enabling studies. According to the agreement, XtalPi has now received the second payment of US$19 million. The two parties will further deepen discovery collaboration with agreed priorities and continuously accelerate translation from discovery to clinical development.
XtalPi’s proprietary dynamic conformation precision modeling platform uses quantum physics algorithms and AI-driven multiscale molecular simulations as dual engines. Rather than relying on static crystal structures, it simulates more complete processes of a target protein’s conformational dynamics in a physiologically relevant environment at atomic-level precision. This allows the platform to accurately capture transiently exposed allosteric sites and PPI interfaces that traditional methods often miss, providing high-resolution structural insights that guide molecular design with both speed and accuracy.
Meanwhile, XtalPi’s integrated drug discovery platform—combining AI, physics-based design, and automation-driven synthesis and optimization—seamlessly connects molecular virtual screening with physical synthesis, accelerating the feedback loop between design and validation. Based on structural information generated by the dynamic conformation model, XtalPi has established predictive models for protein complexes used in hit compound screening, enabling highly efficient virtual screening. High-potential molecules with superior drug-like properties are then evaluated for synthesizability and synthetic routes by the company’s proprietary SureRXN reaction prediction model, after which a fleet of automated robotic workstations conduct parallel synthesis and activity testing, forming a high-throughput closed-loop iteration of “Design–Make–Test–Analyze” (DMTA).
This system can synthesize and test 3,000–4,000 novel molecules within 2–3 months, with a synthesis success rate consistently above 80%. Even when facing entirely new targets with extremely limited prior data, the platform can rapidly accumulate high-quality empirical data within a very short timeframe, continuously driving algorithm optimization and molecular evolution. This end-to-end capability — from mechanistic insight to physical delivery — brings historically intractable targets onto a significantly de-risked preclinical development trajectory, with the potential to accelerate their transformation into clinically actionable assets.
The momentum of the XtalPi–DoveTree collaboration programs is built on the strengths of both partners: DoveTree brings deep expertise in target biology, translational medicine, and modality innovation, while XtalPi is redefining the efficiency and scalability of molecular discovery through AI and automation.
The combined strengths of the two companies not only enable new drug discovery programs to advance rapidly from initiation to the clinic, but also ensure that these programs address high unmet medical needs by tackling highly validated, difficult-to-drug targets with clear paths to clinical translation and commercialization.
XtalPi is eligible to receive future milestones and royalties, allowing the long-term value of its AI platform to be realized through pipeline expansion and advancement.
Dr. Gregory Verdine, Founder and CEO of DoveTree, stated:
“XtalPi has built an impressive platform operating at the convergence of AI, physics-based molecular design, and automation-driven synthesis and optimization. These integrated capabilities have the potential to improve both the speed and quality of discovery efforts against challenging biological targets. We are pleased with the progress of the collaboration to date and look forward to advancing additional programs toward clinical development.”
Dr. Wen Shuhao, Chairman of XtalPi, stated:
“Our collaboration with DoveTree continues to generate verifiable results. This not only validates the advantages of our technological pathway, but also gives us strong conviction as we scale the pipeline. XtalPi has already established a complete closed loop from target discovery to PCC across multiple real-world R&D projects. Our focus now is on systematically extending this approach to a broader set of high-value targets, delivering innovation with a higher probability of success for the industry, and pushing the boundaries of what can be achieved in drug discovery.”
About DoveTree Medicines
DoveTree is an innovative biopharmaceutical company focused on developing first-in-class therapies for diseases with significant unmet clinical needs. The company was founded and is led by scientist and entrepreneur Dr. Gregory Verdine, and leverages deep insights into biology together with advanced artificial intelligence technologies to explore novel therapeutic approaches and accelerate the development of transformative medicines. DoveTree is named after the Davidia involucrata — also known as the Dove Tree — a rare ancient plant native to Yunnan, China. The company integrates the frontier R&D innovation and mature pharmaceutical market of the United States with China’s rapidly emerging R&D ecosystem and innovative pipeline assets, like the beautiful and flourishing “Dove Tree,” bringing new hope to human health.
About XtalPi
XtalPi Holdings Limited (“XtalPi,” HKEX: 2228) was founded in 2015 by physicists from the Massachusetts Institute of Technology (MIT). The company is a technology platform focused on quantum physics–based and AI-driven innovation in drug and materials discovery. By integrating quantum physics, artificial intelligence, cloud computing, and large-scale automation, XtalPi provides research and development solutions and services to global pharmaceutical, materials science, consumer products, energy, and advanced chemicals industries.
Source: XtalPi Inc.
