一个基于RRAM的万能可编程概率计算机的硬件演示,用于分子对接
Yihan He1, Ming-Chun Hong2,3, Qiming Ding4
1Department of Electrical and Computer Engineering, National University of Singapore, Singapore, Singapore.
Nature communications
|December 10, 2025
概括
一个新的概率计算机 (p-计算机) 原型成功解决了复杂的分子对接挑战. 计算生物学中的这一突破为药物发现和生物信息学提供了更有效的解决方案.
科学领域:
- 计算生物学是一种计算生物学.
- 生物物理学的生物物理.
- 计算机工程是计算机工程.
背景情况:
- 分子对接对于药物发现至关重要,但由于广的搜索空间,计算密集.
- 现有的计算方法面临局限性,而量子计算还没有足够的可扩展性或精确性.
- 概率计算为复杂的计算生物学问题提供了一个潜在的替代方案.
研究的目的:
- 开发和演示一个概率计算机 (p-计算机) 原型,用于解决复杂的分子对接问题.
- 在计算生物学中克服传统和量子计算的局限性.
- 展示p-computing在生物信息学中的一种新的硬件应用.
主要方法:
- 使用180nm CMOS与HfO2 RRAM和内存计算 (CIM) 方案制造一个p-计算机原型.
- 基于高斯随机数生成器的p-bit与CIM的集成,在RRAM横杆中编码系数.
- 一个涉及脂蛋白Lola-LolCDE复合体的42节点分子对接问题的实验解决方案.
主要成果:
- 该p-计算机原型成功解决了一个复杂的42节点分子对接问题.
- 结果与已建立的工具如蛋白质-连接物相互作用分析仪一致.
- 共同设计的CIM和p-bit架构缓解了内存到计算的瓶.
结论:
- 开发的p计算机证明了对复杂的生物信息学问题的可行硬件应用.
- 这种方法显示出克服当前对接技术的成功率和效率限制的潜力.
- 这项研究强调了p-computing在推进药物发现和计算生物学方面的承诺.
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