International Journal For Multidisciplinary Research

E-ISSN: 2582-2160   •   Impact Factor: 9.24

A Widely Indexed Open Access Peer Reviewed Multidisciplinary Bi-monthly Scholarly International Journal

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Volume 8 Issue 1
January-February 2026

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Quantum Computing and Drug Discovery: Current Trends and Future

Author(s) Mr. Yashraj Mukherjee, Mr. Praveen Pathak, Ms. Shweta Sinha
Country India
Abstract Discovery of drugs is one the time consuming and resource intensive process in the pharmaceutical industry since it takes years of research and investments. Discovery of new drugs is crucial for preserving human health and eradication of diseases. Modern drug discovery processes like CADD relies on Traditional Computing which is constrained by its raw computing power because it struggles to simulate complex interactions between biomolecules. Therefore, pharmaceutical industry can be one of the largest beneficiaries of quantum technology pushing boundaries of innovation. Quantum Computing can accelerate the drug discovery process and execute them within few minutes to hours which would require millions of years on today’s fastest supercomputer.
This paper explains Quantum Computing basics, principles of quantum computing, algorithms used in quantum computing like Shor, Grover’s etc., Process of traditional drug discovery, limitations of CADD, Quantum Simulations, Virtual Screening, Molecular Docking and how Quantum Technology speeds up drug discovery process. It also addresses challenges regarding quantum technologies such as regulatory compliances, hardware limitations, cost & accessibility etc. and provides recent breakthroughs that demonstrates the application of quantum computing in drug discovery. Note that some very important terminologies related to quantum computing which are not mentioned in detail are mentioned in brief in our glossary section.
Keywords Quantum Computing, Molecular Docking, Virtual Screening, Drug Discovery, Quantum Simulation, QSAR, CADD, Graph Neural Networks (GNNs), VQE, QPE, Suzuki-Miyaura, KRAS
Field Computer > Artificial Intelligence / Simulation / Virtual Reality
Published In Volume 8, Issue 1, January-February 2026
Published On 2026-01-07
DOI https://doi.org/10.36948/ijfmr.2026.v08i01.65289
Short DOI https://doi.org/hbh54v
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