Kuano: A novel second generation quantum computing technique using transition state modelling for efficient drug discovery

Kuano：一种新颖的第二代量子计算技术，利用过渡态建模实现高效药物发现

• 批准号: 10002667
• 金额: $ 26.39万
• 依托单位: KUANO LTD
• 依托单位国家: 英国
• 项目类别: Feasibility Studies
• 财政年份: 2021
• 资助国家: 英国
• 起止时间: 2021 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=10002667
• 关键词: Kuano; novel; second; generation; quantum

Kuano is a company dedicated to bringing the latest innovation and technology for drug discovery to the pharmaceutical industry. Kuano's unique approach tackles common challenges in both AI-driven drug design and target driven drug discovery.This Feasibility Study seeks to exploit second generation quantum techniques to solve currently intractable problems associated with molecular simulation within the drug discovery sector.Kuano will evaluate the feasibility of a second-generation quantum technology to overcome current limitations associated with accurately modeling the behaviour of the catalysis process: specifically, extracting a description of the transition state and understanding the binding mechanisms for metalloproteins. This would enable large-scale, precise molecular simulations and support broad application in the field of 'AI in drug discovery' (as well as other industrial applications).The project output is a discovery platform that aims to unlock intermediate-to-high levels of entanglement, creating a step-change for Kuano and the UK drug development industry.

Kuano是一家致力于为制药行业带来最新药物发现创新和技术的公司。Kuano的独特方法解决了人工智能驱动的药物设计和靶向驱动的药物发现中的共同挑战。该可行性研究旨在利用第二代量子技术解决目前药物发现领域与分子模拟相关的棘手问题。Kuano将评估第二代量子技术的可行性，以克服当前与精确建模催化过程行为相关的限制：具体而言，提取过渡态的描述并理解金属蛋白的结合机制。这将实现大规模、精确的分子模拟，并支持在“药物发现中的人工智能”领域（以及其他工业应用）的广泛应用。该项目的成果是一个旨在解锁中高水平纠缠的发现平台，为Kuano和英国药物开发行业创造了一个飞跃。