Modern bioinformatics faces escalating challenges stemming from both the inherent computational hardness of many fundamental problems and the rapidly growing scale and complexity of biological data, increasingly limiting the effectiveness of classical computational approaches. Quantum computing has emerged as a promising paradigm for addressing these challenges by enabling alternative problem representations and novel search strategies for exploring complex solution spaces. This systematic review provides a structured overview of the emerging field of quantum bioinformatics and aims to supplement recent reviews on this topic in the journal by providing an updated and structured synthesis of current research. We systematically collect and organize existing studies across 10 bioinformatics domains to identify research trends, dominant themes, and recurring methodological patterns. The review examines quantum and hybrid quantum-classical approaches, problem formulations, and encoding strategies, with particular attention to the constraints of noisy intermediate-scale quantum devices, including noise, limited scalability, and the need for error mitigation. We further synthesize reported limitations, open challenges, and prospective research directions.
Modern bioinformatics faces escalating challenges stemming from both the inherent computational hardness of many fundamental problems and the rapidly growing scale and complexity of biological data, increasingly limiting the effectiveness of classical computational approaches. Quantum computing has emerged as a promising paradigm for addressing these challenges by enabling alternative problem representations and novel search strategies for exploring complex solution spaces. This systematic review provides a structured overview of the emerging field of quantum bioinformatics and aims to supplement recent reviews on this topic in the journal by providing an updated and structured synthesis of current research. We systematically collect and organize existing studies across 10 bioinformatics domains to identify research trends, dominant themes, and recurring methodological patterns. The review examines quantum and hybrid quantum-classical approaches, problem formulations, and encoding strategies, with particular attention to the constraints of noisy intermediate-scale quantum devices, including noise, limited scalability, and the need for error mitigation. We further synthesize reported limitations, open challenges, and prospective research directions.
Quantum computing is emerging as a transformative approach in bioinformatics and quantum chemistry, addressing fundamental computational limitations of classical methods in molecular science. Many biological and chemical systems are inherently governed by quantum mechanics, making accurate simulation with classical algorithms computationally expensive or infeasible. This review examines how quantum computing, particularly in the Noisy Intermediate-Scale Quantum (NISQ) era, is advancing molecular modeling, reaction dynamics, and bioinformatics applications. Key quantum algorithms, including the Variational Quantum Eigensolver (VQE) and Quantum Phase Estimation (QPE), demonstrate increasing capability in approximating molecular energies and simulating quantum systems. In parallel, applications in bioinformatics—such as protein folding, genomic search, and combinatorial optimization—highlight the potential of quantum computing to address complex biological problems. Quantum machine learning further extends these capabilities by integrating quantum algorithms with data-driven modeling. However, current progress is constrained by NISQ-era limitations, including noise, limited qubit counts, and scalability challenges. These constraints highlight the need for hybrid quantum–classical approaches and improved error mitigation strategies. Overall, quantum computing represents a complementary computational paradigm that can enhance classical methods in bioinformatics and chemistry. Continued advances in quantum algorithms, hardware, and hybrid modeling frameworks are expected to expand its role in molecular science and computational biology.
Quantum computing offers great potential for solving intractable computational challenges in bioinformatics, yet the existing literature remains dominated by speculative proposals rather than empirical evidence. To separate theoretical promise from practical reality, this review systematically assesses the empirical state of quantum computing applications across biological domains. We analyzed fifty-three experimental studies spanning sequence analysis, structural biology, phylogenetics, and biomedical machine learning, evaluating them based on their underlying computational paradigms, dataset scales, comparisons against classical baselines, and adherence to open-science reproducibility standards. Our investigation reveals that, while all comparative studies report performance that matches or exceeds that of classical methods, the vast majority rely on simulated environments or quantum-inspired classical heuristics rather than on physical quantum hardware. Moreover, nearly 77% of the evaluated implementations are restricted to heavily reduced toy datasets due to current technological constraints. Severe reproducibility issues plague the field, with just 30% of the studies providing both publicly accessible source code and experimental data. Although quantum bioinformatics has successfully produced viable proof-of-concept prototypes, the field is fundamentally limited by hardware scaling bottlenecks and a lack of standardized benchmarking. To move from conceptual demonstrations to practical scientific impact, we recommend that the community should prioritize rigorous reproducibility practices, establish transparent evaluation metrics, and clearly distinguish genuine quantum execution from classical simulation.
The field of quantum computing (QC) is expanding, with efforts being made to apply it to areas previously covered by classical algorithms and methods. Bioinformatics is one such domain that is developing in terms of QC. This article offers a broad mapping review of methods and algorithms of QC in bioinformatics, marking the first of its kind. It presents an overview of the domain and aids researchers in identifying further research directions in the early stages of this field of knowledge. The work presented here shows the current state-of-the-art solutions, focuses on general future directions, and highlights the limitations of current methods. The gathered data includes a comprehensive list of identified methods along with descriptions, classifications, and elaborations of their advantages and disadvantages. Results are presented not just in a descriptive table but also in an aggregated and visual format.
Bioinformatics has revolutionized biology and medicine by using computational methods to analyze and interpret biological data. Quantum mechanics has recently emerged as a promising tool for the analysis of biological systems, leading to the development of quantum bioinformatics. This new field employs the principles of quantum mechanics, quantum algorithms, and quantum computing to solve complex problems in molecular biology, drug design, and protein folding. However, the intersection of bioinformatics, biology, and quantum mechanics presents unique challenges. One significant challenge is the possibility of confusion among scientists between quantum bioinformatics and quantum biology, which have similar goals and concepts. Additionally, the diverse calculations in each field make it difficult to establish boundaries and identify purely quantum effects from other factors that may affect biological processes. This review provides an overview of the concepts of quantum biology and quantum mechanics and their intersection in quantum bioinformatics. We examine the challenges and unique features of this field and propose a classification of quantum bioinformatics to promote interdisciplinary collaboration and accelerate progress. By unlocking the full potential of quantum bioinformatics, this review aims to contribute to our understanding of quantum mechanics in biological systems.
Abstract Quantum computing (QC) is an emerging paradigm with the potential to offer significant computational advantage over conventional classical computing by exploiting quantum‐mechanical principles such as entanglement and superposition. It is anticipated that this computational advantage of QC will help to solve many complex and computationally intractable problems in several application domains such as drug design, data science, clean energy, finance, industrial chemical development, secure communications, and quantum chemistry. In recent years, tremendous progress in both quantum hardware development and quantum software/algorithm has brought QC much closer to reality. Indeed, the demonstration of quantum supremacy marks a significant milestone in the Noisy Intermediate Scale Quantum (NISQ) era—the next logical step being the quantum advantage whereby quantum computers solve a real‐world problem much more efficiently than classical computing. As the quantum devices are expected to steadily scale up in the next few years, quantum decoherence and qubit interconnectivity are two of the major challenges to achieve quantum advantage in the NISQ era. QC is a highly topical and fast‐moving field of research with significant ongoing progress in all facets. A systematic review of the existing literature on QC will be invaluable to understand the state‐of‐the‐art of this emerging field and identify open challenges for the QC community to address in the coming years. This article presents a comprehensive review of QC literature and proposes taxonomy of QC. The proposed taxonomy is used to map various related studies to identify the research gaps. A detailed overview of quantum software tools and technologies, post‐quantum cryptography, and quantum computer hardware development captures the current state‐of‐the‐art in the respective areas. The article identifies and highlights various open challenges and promising future directions for research and innovation in QC.
Abstract Quantum computers can in principle solve certain problems exponentially more quickly than their classical counterparts. We have not yet reached the advent of useful quantum computation, but when we do, it will affect nearly all scientific disciplines. In this review, we examine how current quantum algorithms could revolutionize computational biology and bioinformatics. There are potential benefits across the entire field, from the ability to process vast amounts of information and run machine learning algorithms far more efficiently, to algorithms for quantum simulation that are poised to improve computational calculations in drug discovery, to quantum algorithms for optimization that may advance fields from protein structure prediction to network analysis. However, these exciting prospects are susceptible to “hype,” and it is also important to recognize the caveats and challenges in this new technology. Our aim is to introduce the promise and limitations of emerging quantum computing technologies in the areas of computational molecular biology and bioinformatics. This article is categorized under: Structure and Mechanism > Computational Biochemistry and Biophysics Data Science > Computer Algorithms and Programming Electronic Structure Theory > Ab Initio Electronic Structure Methods