论文标题
计算分子生物学中量子计算的前景
The prospects of quantum computing in computational molecular biology
论文作者
论文摘要
量子计算机原则上可以比其经典同行更快地解决某些问题。我们尚未达到有用的量子计算的出现,但是当我们这样做时,它将影响几乎所有科学学科。在这篇综述中,我们研究了当前的量子算法如何彻底改变计算生物学和生物信息学。从整个领域都有潜在的好处,从处理大量信息和运行机器学习算法的能力更有效地到量子模拟算法,这些算法有助于改善药物发现中的计算计算,再到量子算法的优化,可以从蛋白质结构预测到网络分析。但是,这些令人兴奋的前景容易受到“炒作”的影响,并且必须认识到这项新技术的警告和挑战也很重要。我们的目的是介绍在计算分子生物学和生物信息学领域中新兴量子计算技术的希望和局限性。
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.