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新型机器学习方法彻底改变了蛋白质知识。

Novel machine learning approaches revolutionize protein knowledge.

机构信息

Institute of Structural and Molecular Biology, University College London, Gower St, WC1E 6BT London, UK.

Technical University of Munich (TUM) Department of Informatics, Bioinformatics and Computational Biology - i12, Boltzmannstr. 3, 85748 Garching/Munich, Germany; VantAI, 151 W 42nd Street, New York, NY 10036, USA.

出版信息

Trends Biochem Sci. 2023 Apr;48(4):345-359. doi: 10.1016/j.tibs.2022.11.001. Epub 2022 Dec 9.

Abstract

Breakthrough methods in machine learning (ML), protein structure prediction, and novel ultrafast structural aligners are revolutionizing structural biology. Obtaining accurate models of proteins and annotating their functions on a large scale is no longer limited by time and resources. The most recent method to be top ranked by the Critical Assessment of Structure Prediction (CASP) assessment, AlphaFold 2 (AF2), is capable of building structural models with an accuracy comparable to that of experimental structures. Annotations of 3D models are keeping pace with the deposition of the structures due to advancements in protein language models (pLMs) and structural aligners that help validate these transferred annotations. In this review we describe how recent developments in ML for protein science are making large-scale structural bioinformatics available to the general scientific community.

摘要

机器学习 (ML)、蛋白质结构预测和新型超快结构比对器方面的突破方法正在彻底改变结构生物学。获得准确的蛋白质模型并大规模注释其功能不再受到时间和资源的限制。在结构预测评估的关键评估 (Critical Assessment of Structure Prediction,CASP) 中排名最高的最新方法是 AlphaFold 2 (AF2),它能够构建与实验结构相当的高精度结构模型。由于蛋白质语言模型 (pLM) 和结构比对器的进步,3D 模型的注释与结构的提交保持同步,这些模型有助于验证这些转移注释。在这篇综述中,我们描述了蛋白质科学中机器学习的最新进展如何使大规模结构生物信息学能够为广大科学界所利用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cea7/10570143/5235bab9b333/gr1.jpg

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