QuEra Computing Inc. reposted this
Updates on Nottingham and their QE-DFT!
As Q4Bio approaches the conclusion of Phase 2, we are excited to share the incredible progress made by our performers over the past 18 months. Here is Nottingham with their project ‘Quantum computing for covalent inhibitors in drug discovery’ The Nottingham-Phasecraft-QuEra collaboration is pioneering a quantum-enhanced approach to drug development, focusing on covalent inhibitors. Researchers at the University of Nottingham have identified these inhibitors as a potential treatment for myotonic dystrophy—a debilitating genetic disorder that leads to progressive muscle weakness and wasting. With an estimated 6,500 people affected in the UK alone, this research could have profound implications. In phase 1, they developed a quantum-enhanced atomistic modeling, integrating classical simulation, quantum software, and quantum hardware. This provides computational chemists with a practical tool for incorporating quantum computing into drug discovery. In phase 2, leveraging NVIDIA GPUs for quantum emulations, they have built up an unprecedented database which represents the largest collection of molecular classical, quantum Hamiltonian and circuits, and in many cases computed ground state properties from emulation. By using this to train transferable models, they have a scalable path to large, quantum-enhanced simulations of the full drug molecule interacting with a protein. The team is led by PI Jonathan Hirst and co-PIs Katherine Inzani (University of Nottingham), Ashley Montanaro (Phasecraft), and Tommaso Macrì (QuEra Computing Inc.) For more details, see: https://lnkd.in/gWpMQuwW https://lnkd.in/g599RJAb #QuantumComputing #QuantumforBio #QuantumChemistry #QuantumSimulation #WellcomeLeap #QuantumAlgorithms #PracticalQuantumAdvantage #Q4Bio #DensityFunctionalTheory #CovalentInhibitors #UniversityOfNottingham #Phasecraft #QuEra