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against BACE1 now.
Runs VQE on IBM Sherbrooke noise model, applies ZNE correction, fetches real AlphaFold protein data, and predicts binding affinity.
QuantumBind uses Variational Quantum Eigensolver on IBM quantum hardware combined with AlphaFold protein structure to screen BACE1 inhibitors for Alzheimer's disease.
Electron correlation — the quantum interaction between electrons — is what determines whether a drug binds to its target. Classical methods approximate it. That approximation is why every BACE1 inhibitor for Alzheimer's has failed.
Variational Quantum Eigensolver calculates exact ground state energy of the drug molecule on IBM quantum hardware.
Zero Noise Extrapolation corrects for quantum hardware decoherence by running circuits at multiple noise levels and extrapolating to zero.
Real BACE1 protein structure fetched from the AlphaFold database. Binding pocket geometry extracted as structural features.
Hybrid quantum-classical neural network combines VQE quantum features with protein structural features to predict binding affinity.
Runs VQE on IBM Sherbrooke noise model, applies ZNE correction, fetches real AlphaFold protein data, and predicts binding affinity.