通过人类在循环中加速基的预测和发现
Tengyan Xu1,2, Jiaqi Wang3,4,5, Shuang Zhao5
1Department of Chemistry, School of Science, Westlake University, 18 Shilongshan Road, Hangzhou, 310024, Zhejiang Province, China.
Nature communications
|June 30, 2023
概括
本研究引入了一种代机器学习和实验方法,以准确预测和设计自组装基. 这种方法增强了对新型酸水凝器的发现,并为潜在的治疗应用提供了帮助.
科学领域:
- 生物材料科学 生物材料科学
- 计算化学的计算化学
- 免疫学 免疫学 免疫学
背景情况:
- 的自我组装成水凝是依赖于序列的,但很难预测.
- 准确预测基凝的形成对于设计新生物材料至关重要.
研究的目的:
- 开发一种强大的,交互式的机器学习实验方法,用于预测和设计四白水凝.
- 通过代改进来提高凝预测的准确性.
主要方法:
- 化学合成超过160种天然四甲和评估它们的凝形成能力.
- 代机器学习-实验循环来提高预测的准确性.
- 构建一个结合聚合倾向,疏水性和凝校正器 (Cg) 的得分函数.
主要成果:
- 创建了一个 8000 个序列的库,在预测水凝形成的成功率为 87.1%.
- 在小鼠模型中,一种新设计的基凝增强了对SARS-CoV-2受体结合域的免疫反应.
- 开发的得分函数有效地预测了酸凝的形成.
结论:
- 交互式机器学习实验方法显著改善了基的预测和设计.
- 这项工作扩大了天然基的范围,并证明了它们在调节免疫反应方面的潜力.
更多相关视频
09:19Patterning Bioactive Proteins or Peptides on Hydrogel Using Photochemistry for Biological Applications
Published on: September 15, 2017
7.3K
05:24Author Spotlight: Improving the Production of Self-Assembling Fibers and Peptide Hydrogels for Superior Biocompatibility
Published on: September 6, 2024
1.2K
相关概念视频
The Carbon Cycle
Carbon is the basis of all organic matter on Earth, and is recycled through the ecosystem in two primary processes: one in which carbon is exchanged among living organisms, and one in which carbon is cycled over long periods of time through fossilized organic remains, weathering of rocks, and volcanic activity. Human activities, including increased agricultural practices and the burning of fossil fuels, has greatly affected the balance of the natural carbon cycle.
Global Climate Change
Throughout its ~4.5 billion year history, the Earth has experienced periods of warming and cooling. However, the current drastic increase in global temperatures is well outside of the Earth’s cyclic norms, and evidence for human-caused global climate change is compelling. Paleoclimatology, the study of ancient climate conditions, provides ample evidence for human-caused global climate change by comparing recent conditions with those in the past.
Biodiversity and Human Values
Human civilization relies on biodiversity in many ways. Sudden changes in species biodiversity result in environmental changes that can modify weather patterns and therefore human civilizations.
Speciation Rates
Speciation can proceed at markedly different rates, and evolutionary biologists commonly describe these differences through the models of gradualism and punctuated equilibrium. Both patterns explain how new species arise, but they differ in the tempo and continuity of evolutionary change. In both cases, evolutionary change arises from heritable variation within populations, with natural selection often shaping traits that improve survival and reproduction under specific environmental conditions.
Gene Evolution - Fast or Slow?
The genomes of eukaryotes are punctuated by long stretches of sequence which do not code for proteins or RNAs. Although some of these regions do contain crucial regulatory sequences, the vast majority of this DNA serves no known function. Typically, these regions of the genome are the ones in which the fastest change, in evolutionary terms, is observed, because there is typically little to no selection pressure acting on these regions to preserve their sequences.
In contrast, regions which code...
In contrast, regions which code...
Gene Evolution - Fast or Slow?
The genomes of eukaryotes are punctuated by long stretches of sequence which do not code for proteins or RNAs. Although some of these regions do contain crucial regulatory sequences, the vast majority of this DNA serves no known function. Typically, these regions of the genome are the ones in which the fastest change, in evolutionary terms, is observed, because there is typically little to no selection pressure acting on these regions to preserve their sequences.
In contrast, regions which code...
In contrast, regions which code...
