机器学习应用在蛋白质科学中的环境影响
Loïc Lannelongue1,2,3,4, Michael Inouye5,2,3,4,6,7
1Cambridge Baker Systems Genomics Initiative, Department of Public Health and Primary Care, University of Cambridge, Cambridge CB2 0SR, United Kingdom ll582@medschl.cam.ac.uk.
Cold Spring Harbor perspectives in biology
|December 1, 2023
概括
计算蛋白质科学,包括像AlphaFold这样的深度学习模型,对环境产生了重大影响. 这项研究量化了蛋白质算法的碳足迹,并建议计算生物学的可持续实践.
科学领域:
- 计算生物学是一种计算生物学.
- 蛋白质科学是一种蛋白质科学.
- 环境科学环境科学
背景情况:
- 机器学习和计算工具对于现代蛋白质科学发现至关重要.
- 这些算法的能源需求引发了环境问题,特别是关于气候紧急情况.
- 了解计算蛋白科学对环境的影响至关重要.
研究的目的:
- 总结蛋白质科学对环境的影响.
- 为了展示受欢迎的蛋白质算法的碳足迹.
- 为可持续的计算蛋白质科学提出行动.
主要方法:
- 分析与蛋白质科学相关的环境影响.
- 用于分子模拟,蛋白质-蛋白质相互作用推断和蛋白质结构预测算法的碳足迹量化.
- 评估大型深度学习模型,包括AlphaFold和ESMFold.
主要成果:
- 像AlphaFold和ESMFold这样的大型深度学习模型可以产生相当大的碳足迹,在某些情况下超过100CO2e.
- 该研究详细介绍了关键蛋白质计算方法的环境成本.
- 显著的碳排放与计算蛋白质结构预测和相关分析有关.
结论:
- 蛋白质科学算法的巨大碳足迹需要监测和缓解策略.
- 科学家应采用计算蛋白科学中的可持续实践,以解决气候问题.
- 实施更绿色的计算方法对于蛋白质研究的未来至关重要.
相关概念视频
Protein-protein Interfaces
12.5K
Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
12.5K
Protein Networks
4.0K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
4.0K
Proteomics
7.4K
A proteome is the entire set of proteins that a cell type produces. We can study proteomes using the knowledge of genomes because genes code for mRNAs, and the mRNAs encode proteins. Although mRNA analysis is a step in the right direction, not all mRNAs are translated into proteins.
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
Proteomics is the study of proteomes' function. It involves the large-scale systematic study of the proteome to denote the protein complement expressed by a genome. Scientist Mark Wilkins coined the term...
7.4K
Protein Denaturation
4.2K
The function of proteins depends on their native three-dimensional structure, which is dictated by the amino acid sequence of the specific protein. Folding of the polypeptide chain takes place under specific conditions that energetically favor the folded conformation. In contrast, protein denaturation occurs spontaneously under unfavorable conditions that disrupt the integrity of the folded conformation. Thus, the chemical and physical environment of a protein, such as significant changes in pH...
4.2K


