ReviewJournal of chemical theory and computation2022
Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications.
Review in Journal of chemical theory and computation, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers, 1 of them a synthesis that pooled it.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
29 citing papers in PubMed, 1 synthesis or guideline pooled it, 167 citations in OpenAlex.
- Quantum computing in bioinformatics: a systematic review mapping.Briefings in bioinformatics · 2024Pooled it
- Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems.Journal of chemical theory and computation · 2026Article
- Benchmarking Quantum Solvers in Noisy Digital Simulations for Financial Portfolio Optimization.Entropy (Basel, Switzerland) · 2026Article
- Utility-Scale Quantum Computational Chemistry.The journal of physical chemistry letters · 2026Review
- Demonstrating real-time and low-latency quantum error correction with superconducting qubits.Nature communications · 2026Article
- From Artificial Intelligence to Quantum Computing: Promise and Prudence in the Field of Cardiovascular Medicine.Journal of the American Heart Association · 2026Article
- Nature meets machine: the AI renaissance in natural product drug discovery.Natural products and bioprospecting · 2026Review
- Metrics for spin-based computing.Nature reviews. Physics · 2026Article
- Quantum-machine-assisted drug discovery.npj drug discovery · 2026Review
- Quantum Computing in Drug Discovery Techniques, Challenges, and Emerging Opportunities.Current drug discovery technologies · 2026Review
- Quantum Computing and Quantum Technologies in Drug Discovery and Therapeutics: Evidence, Benchmarking, and Translational Integration.Drug design, development and therapy · 2026Review
- Recent advances in computational antimicrobial peptide discovery through big data, modeling, and artificial intelligence and their interplay in ushering the next golden era of drug development.Frontiers in bioinformatics · 2026Review
- The Electronic Structure of the Hydrogen Molecule: A Tutorial Exercise in Classical and Quantum Computation.ACS physical chemistry Au · 2025Article
- Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing.The journal of physical chemistry letters · 2025Review
- Quantum Computing Approach to Fixed-Node Monte Carlo Using Classical Shadows.Journal of chemical theory and computation · 2025Article
- Modeling Heterogeneous Catalysis Using Quantum Computers: An Academic and Industry Perspective.Journal of chemical information and modeling · 2025Review
- SHARC meets TEQUILA: mixed quantum-classical dynamics on a quantum computer using a hybrid quantum-classical algorithm.Chemical science · 2025Article
- Unified framework for matchgate classical shadows.NPJ quantum information · 2025Article
- Accurate quantum-centric simulations of intermolecular interactions.Communications physics · 2025Article
- Evaluating Variational Quantum Eigensolver Approaches for Simplified Models of Molecular Systems: A Case Study on Protocatechuic Acid.Molecules (Basel, Switzerland) · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
12 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing into reach currently impossible calculations. This perspective illustrates the near-future applicability of quantum computation of molecules to pharmaceutical problems. We briefly summarize and compare the scaling properties of state-of-the-art quantum algorithms and provide novel estimates of the quantum computational cost of simulating progressively larger embedding regions of a pharmaceutically relevant covalent protein-drug complex involving the drug Ibrutinib. Carrying out these calculations requires an error-corrected quantum architecture that we describe. Our estimates showcase that recent developments on quantum phase estimation algorithms have dramatically reduced the quantum resources needed to run fully quantum calculations in active spaces of around 50 orbitals and electrons, from estimated over 1000 years using the Trotterization approach to just a few days with sparse qubitization, painting a picture of fast and exciting progress in this nascent field.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.