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相关概念视频

Protein-protein Interfaces02:04

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 Networks02:26

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,...
4.0K
Conserved Binding Sites01:49

Conserved Binding Sites

4.2K
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...
4.2K
Ligand Binding Sites02:40

Ligand Binding Sites

12.8K
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...
12.8K
Assembly of Signaling Complexes01:30

Assembly of Signaling Complexes

5.8K
Multiprotein signaling complexes are formed in a dynamic process involving protein-protein interactions at the cytoplasmic domain of transmembrane receptors or enzymatic and non-enzymatic proteins associated with the receptor. These complexes ensure the activation and propagation of intracellular signals that regulate cell functions.
Interaction domains in cell signaling
Interaction domains recognize exposed features of their binding partners containing post-translationally modified sequences,...
5.8K
Conservation of Protein Domains Over Different Proteins02:26

Conservation of Protein Domains Over Different Proteins

10.9K
Protein domains are small structurally independent units that are part of a single amino acid chain.  Although these domains are often structurally independent, they may rely on synergistic effects to perform their functions as part of a larger protein. Protein domains may be conserved within the same organism, as well as across different organisms.
A limited set of protein domains often duplicate and recombine during evolution. These domains can be organized in different combinations to...
10.9K

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相关实验视频

Updated: Jul 2, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

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波赛顿:基物体基于序列的交互与蜂DOmaiNs:一个新的数据库和预测器.

António J Preto1,2, Ana B Caniceiro1,3, Francisco Duarte1

  • 1Center for Neuroscience and Cell Biology, University of Coimbra, 3004-504, Coimbra, Portugal.

Journal of cheminformatics
|February 16, 2024
PubMed
概括
此摘要是机器生成的。

我们开发了POSEIDON,这是一个细胞透 (CPPs) 的数据库和ML预测器. 它准确地预测了CPP的普及,加速了药物输送研究,降低了实验成本.

关键词:
货物运输货物运输货物运输货物运输细胞透的.数据库数据库数据库是一个数据库.量化吸收量 量化吸收量吸收效率的使用效率.

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A Protocol for Computer-Based Protein Structure and Function Prediction
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A Protocol for Computer-Based Protein Structure and Function Prediction

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Multi-Faceted Mass Spectrometric Investigation of Neuropeptides in Callinectes sapidus
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Multi-Faceted Mass Spectrometric Investigation of Neuropeptides in Callinectes sapidus

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相关实验视频

Last Updated: Jul 2, 2025

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
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Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

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A Protocol for Computer-Based Protein Structure and Function Prediction
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A Protocol for Computer-Based Protein Structure and Function Prediction

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Multi-Faceted Mass Spectrometric Investigation of Neuropeptides in Callinectes sapidus
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Multi-Faceted Mass Spectrometric Investigation of Neuropeptides in Callinectes sapidus

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科学领域:

  • 生物化学和分子生物学
  • 生物信息学和计算生物学
  • 药物交付和制药科学 药物交付和制药科学

背景情况:

  • 细胞透 (CPPs) 促进治疗载荷进入细胞.
  • 目前对CPP的体内/体外测试是耗时且昂贵的.
  • 现有的CPP机器学习 (ML) 模型往往缺乏定量吸收数据,限制了它们的预测能力.

研究的目的:

  • 创建一个全面的,开放访问量CPP吸收值和物理化学性质的数据库.
  • 开发一个高度准确的ML回归模型来预测CPP吸收.
  • 为加速CPP研发提供一个有价值的资源.

主要方法:

  • 策划了一个开放访问数据库 (POSEIDON) 包含超过2300个实验定量吸收值和1315个的物理化学特性.
  • 细胞系的综合基因组特征与数据.
  • 开发并验证了一种使用超过1200个数据输入的ML回归模型.

主要成果:

  • 波赛顿数据库为CPP提供了大量的定量数据.
  • 开发的ML回归模型在预测CPP细胞系吸收方面取得了很高的准确性.
  • 性能指标包括皮尔森相关性为0.87,斯皮尔曼相关性为0.88,在独立测试组中r2得分为0.76.

结论:

  • POSEIDON数据库和ML预测器代表了CPP研究的重大进步.
  • 这个资源提供了一个比传统的实验方法更快,更便宜,更准确的替代方案.
  • 这些免费可用的工具将使研究人员能够设计和优化用于治疗应用的CPP.