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相关概念视频

Ligand Binding Sites02:40

Ligand Binding Sites

13.2K
Proteins are dynamic macromolecules that carry out a wide variety of essential processes; however, the activities of most proteins depend on their interactions with other molecules or ions, known as ligands.
Protein-ligand interactions are quite specific; even though numerous potential ligands surround a cellular protein at any given time, only a particular ligand can bind to that protein. Moreover, a ligand binds only to a dedicated area on the surface of the protein, known as the...
13.2K
Conserved Binding Sites01:49

Conserved Binding Sites

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Many proteins’ biological role depends on their interactions with their ligands, small molecules that bind to specific locations on the protein known as ligand-binding sites. Ligand-binding sites are often conserved among homologous proteins as these sites are critical for protein function.
Binding sites are often located in large pockets, and if their location on a protein’s surface is unknown, it can be predicted using various approaches. The energetic method computationally...
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lncRNA - Long Non-coding RNAs02:39

lncRNA - Long Non-coding RNAs

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RNA Structure01:19

RNA Structure

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The basic structure of RNA consists of a string of ribonucleotides attached by phosphodiester bonds. Although most RNA is single-stranded, it can form complex secondary and tertiary structures. Such structures play essential roles in the regulation of transcription and translation.
Different Types of RNA Have the Same Basic Structure
There are three main types of ribonucleic acid (RNA) involved in protein synthesis: messenger RNA (mRNA), transfer RNA (tRNA), and ribosomal RNA (rRNA). All three...
5.2K
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

4.9K
Allosteric proteins have more than one ligand binding site; the binding of a ligand to any of these sites influences the binding of ligands to the other sites. When a protein is allosteric, its binding sites are called coupled or linked.  In the case of enzymes, the site that binds to the substrate is known as the active site and the other site is known as the regulatory site. When a ligand binds to the regulatory site, this leads to conformational changes in the protein that can influence...
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RNA Polymerase II Accessory Proteins02:36

RNA Polymerase II Accessory Proteins

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相关实验视频

Updated: Sep 11, 2025

Exploring Sequence Space to Identify Binding Sites for Regulatory RNA-Binding Proteins
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GATRsite:使用图表注意力网络和预训练的RNA语言模型预测RNA-连接物结合点.

Chuance Sun1, Linghao Zhang1, Lingfeng Zhang2

  • 1Engineering Research Center of Cell & Therapeutic Antibody (MOE), School of Pharmacy, Shanghai Jiao Tong University, Shanghai 200240, China.

Journal of chemical information and modeling
|August 15, 2025
PubMed
概括

研究人员开发了GATRsite,这是一个深度学习工具,用于预测RNA-连接体结合位点. 这种方法增强了对RNA功能的理解,并有助于设计针对RNA的新型小分子疗法.

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科学领域:

  • 计算生物学是一种计算生物学.
  • 药物发现 药物发现
  • 分子建模分子建模

背景情况:

  • 识别功能性RNA位点,特别是小分子结合位点,对于生物学理解和药物开发至关重要.
  • 针对RNA的疗法提供了超越传统蛋白质治疗的新策略.
  • 准确的RNA-小分子相互作用的计算预测仍然是一个重大挑战.

研究的目的:

  • 引入GATRsite,这是一个高效的深度学习框架,用于预测RNA-连接体结合位点.
  • 开发一种精确表征RNA并预测结合点的计算模型.
  • 为RNA生物学和药物设计研究人员提供可访问的工具.

主要方法:

  • 利用图形注意力网络 (GAT) 和预训练的RNA语言模型.
  • 代表RNA核酸作为图中的节点,包含序列和结构特征.
  • 整合了来自RNA语言模型的先进嵌入,以捕获复杂的RNA特征.

主要成果:

  • 与现有的最先进的方法相比,GATRsite表现出卓越的性能.
  • 在基准数据集上实现了高回忆率,马修的相关系数和F1得分.
  • 在预测RNA结构方面表现出显著的稳定性.

结论:

  • GATRsite 是一个有效的深度学习框架,用于预测RNA-连接体结合位点.
  • 该工具为基于RNA的药物发现提供了更高的准确性和稳定性.
  • 一个用户友好的在线服务器可用于GATRsite在https://malab.sjtu.edu.cn/GATRsite/.