Acellera and Psivant Collaborate to Develop Transformative Computational Drug Discovery Approaches Using AI and Quantum Simulations
Published on January 29, 2025
Acellera Therapeutics and Psivant Therapeutics announced a research collaboration to develop computational approaches for small molecule discovery. The collaboration combines Acellera’s advanced AceForce technology, which uses neural network potentials for protein ligand potency prediction, with Psivant’s QUAISAR platform, which uses quantum mechanics (QM), molecular dynamics (MD), and artificial intelligence (AI) to simulate biologically relevant protein motion and predict drug properties.
The work combines AI, machine learning and quantum chemistry simulations with physics based methods and laboratory testing for small molecule screening and drug design.
"This partnership demonstrates how we are pushing the boundaries of early-stage drug discovery by integrating quantum chemistry, machine learning and agentic AI", said Gianni De Fabritiis, CEO of Acellera Therapeutics. "We are excited to collaborate with Psivant and harness the power of QuantumBind® and PlayMolecule® to pioneer new computational approaches to designing therapeutics".
The collaboration brings computational methods together with Psivant’s drug discovery expertise and in house laboratory, said Woody Sherman, Chief Innovation Officer at Psivant Therapeutics.
The collaboration, cofinanced by the European Regional Development Fund (FEDER), integrates predictive AI driven insights with experimental workflows.
About Acellera Therapeutics
Acellera is a software company founded in 2006. It builds molecular simulation, molecular physics and AI applications for drug discovery.
About Psivant Therapeutics
Psivant Therapeutics integrates computational algorithms with research expertise in the lab. Psivant explores virtual chemical spaces and uses computational methods to prioritize candidates for wet lab synthesis and testing. Learn more at psivant.com.