Tag: Wellcome Leap
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Protein Solvation Pipeline
Owner Quantum Simulation Quantum Approach SDGs Contributors Pasqal Qubit Pharamceuticals Unitary Foundation Origins of Contributors How quantum could help Predicting hydration sites within buried protein pockets is a complex but essential task for accurate simulations in structure-based drug discovery. Specifically, water molecules can significantly influence how a target protein interacts with a ligand, and inadequate