Deep learning applications in protein crystallography.

IF 1.9 4区材料科学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta Crystallographica Section A: Foundations and Advances Pub Date : 2024-01-01 DOI:10.1107/S2053273323009300

Senik Matinyan, Pavel Filipcik, Jan Pieter Abrahams

引用次数: 0

Abstract

Deep learning techniques can recognize complex patterns in noisy, multidimensional data. In recent years, researchers have started to explore the potential of deep learning in the field of structural biology, including protein crystallography. This field has some significant challenges, in particular producing high-quality and well ordered protein crystals. Additionally, collecting diffraction data with high completeness and quality, and determining and refining protein structures can be problematic. Protein crystallographic data are often high-dimensional, noisy and incomplete. Deep learning algorithms can extract relevant features from these data and learn to recognize patterns, which can improve the success rate of crystallization and the quality of crystal structures. This paper reviews progress in this field.

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深度学习在蛋白质晶体学中的应用。

深度学习技术可以识别嘈杂的多维数据中的复杂模式。近年来，研究人员开始探索深度学习在结构生物学领域（包括蛋白质晶体学）的潜力。这一领域面临着一些重大挑战，特别是生产高质量、有序的蛋白质晶体。此外，收集高完整性和高质量的衍射数据以及确定和完善蛋白质结构也是一个难题。蛋白质晶体数据通常具有高维、噪声大和不完整等特点。深度学习算法可以从这些数据中提取相关特征并学习识别模式，从而提高结晶的成功率和晶体结构的质量。本文回顾了这一领域的进展。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta Crystallographica Section A: Foundations and Advances CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

2.60

自引率

11.10%

发文量

419

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.