Drug Design on Quantum Computers - a (Fact Based, Zero Hype) Perspective

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" summary

Boehringer Ingelheim reports concrete resource estimates and failure modes for quantum drug design: estimating a cytochrome ground state needs 1,400 logical qubits and ~7.8 billion gates with a simulated 3 days runtime for a 58-orbital active space within a ~500-orbital system; VQE fails to converge on a water dimer (12 orbitals, 12 electrons), prompting symmetry-adapted perturbation theory adapted to NISQ which reduces noise; fault-tolerant SAPT still demands 6,300 logical qubits / ~1e20 gates and impractical runtimes, so algorithmic advances and novel mappings are required.

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" chapters (6)

1. 0:00Introduction
2. 1:13About Enel
3. 2:07What is Drug Discovery
4. 3:57Use Cases
5. 9:31Finding Affinity
6. 13:18Finding Partners

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