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相关概念视频

Ligand Binding and Linkage00:49

Ligand Binding and Linkage

4.8K
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...
4.8K
Ligand Binding Sites02:40

Ligand Binding Sites

12.9K
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...
12.9K
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
Gene Families01:57

Gene Families

8.8K
Gene families consist of groups of genes proposed to have originated from a common ancestor. Typically these arise through events in which a gene or genes are mistakenly duplicated during cell division. Unlike their parent genes (which are subject to selection pressure to maintain function), these gene copies do not need to preserve their sequences and may evolve at a relatively faster rate.
Occasionally these regions can be adapted to take on new roles within the organism, becoming novel genes...
8.8K
Protein Organization01:24

Protein Organization

6.5K
Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
The primary structure of a protein is its amino acid sequence....
6.5K
Metal-Ligand Bonds02:51

Metal-Ligand Bonds

20.8K
The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
20.8K

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相关实验视频

Updated: Jul 6, 2025

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source
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Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

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阿尔法Fold2结构模板连接体发现

Jiankun Lyu1,2, Nicholas Kapolka3, Ryan Gumpper3

  • 1Department of Pharmaceutical Chemistry, University of California, San Francisco, CA 94158, USA.

bioRxiv : the preprint server for biology
|January 8, 2024
PubMed
概括
此摘要是机器生成的。

阿尔法Fold2模型显示出潜在的基于结构的药物发现的前景,产生与实验结构相比的成功命中率. 这些人工智能预测的模型可以探索相关的形状,以识别新药候选者.

科学领域:

  • 计算生物学 计算生物学
  • 药物发现 药物发现 药物发现

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  • 结构生物学 结构生物学
  • 背景情况:

    • 像AlphaFold2 (AF2) 这样的AI驱动的蛋白质结构预测工具增加了药物发现的可用结构.
    • 之前的回顾性研究质疑AF2模型对于基于结构的带发现的直接实用性.
    • 这项研究旨在前性地评估未经精炼的AF2模型,用于大规模的结体查.

    结论:

    • 不精炼的AlphaFold2模型可以有效地用于潜在的基于结构的连接体发现.
    • AF2模型可以采样生物相关的形状,扩大基于结构的药物设计的范围.
    • 这些发现表明,人工智能预测的结构具有识别新疗法剂的巨大潜力.