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Nature Computational Science

Towards practical applications in quantum computational biology

Aleksey K. Fedorov, Mikhail Sergeevich Gelfand

Published Feb 22, 2021• 62 citations
Publisher
DOI
10.1038/s43588-021-00024-z

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Quantum computing holds substantial potential for applications in biology and medicine, spanning from the simulation of biomolecules to machine learning methods for subtyping cancers on the basis of clinical features. This potential is encapsulated by the concept of a quantum advantage, which is contingent on a reduction in the consumption of a computational resource, such as time, space or data. Here, we distill the concept of a quantum advantage into a simple framework to aid researchers in biology and medicine pursuing the development of quantum applications. We then apply this framework to a wide variety of computational problems relevant to these domains in an effort to (i) assess the potential of practical advantages in specific application areas and (ii) identify gaps that may be addressed with novel quantum approaches. In doing so, we provide an extensive survey of the intersection of biology and medicine with the current landscape of quantum algorithms and their potential advantages. While we endeavour to identify specific computational problems that may admit practical advantages throughout this work, the rapid pace of change in the fields of quantum computing, classical algorithms and biological research implies that this intersection will remain highly dynamic for the foreseeable future.
Quantum computational biology is an advanced interdisciplinary field that integrates the principles of quantum mechanics with computational biology to solve complex biological problems, and for biomedical students and professionals, authoring a book on this subject would provide a foundational understanding of how quantum algorithms can model molecular interactions, simulate protein folding, analyze genomic data at unprecedented speeds, and optimize drug discovery processes, thereby bridging the gap between theoretical quantum computing and practical biomedical applications to revolutionize diagnostics and therapeutics.
Presenting quantum physics for the non-physicists, Quantum Physics for Scientists and Technologists is a self-contained, cohesive, concise, yet comprehensive, story of quantum physics from the fields of science and technology, including computer science, biology, chemistry, and nanotechnology. The authors explain the concepts and phenomena in a practical fashion with only a minimum amount of math. Examples from, and references to, computer science, biology, chemistry, and nanotechnology throughout the book make the material accessible to biologists, chemists, computer scientists, and non-techn