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Related Concept Videos

Ligand Binding Sites02:40

Ligand Binding Sites

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...
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

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 the...
Ligand Binding and Linkage00:49

Ligand Binding and Linkage

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 the...

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Related Experiment Video

Updated: Jun 3, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Linking the Resource Description Framework to cheminformatics and proteochemometrics.

Egon L Willighagen1, Jonathan Alvarsson, Annsofie Andersson

  • 1Uppsala University, Department of Pharmaceutical Biosciences, Box 591, SE-751 24 Uppsala, Sweden. egon.willighagen@farmbio.uu.se.

Journal of Biomedical Semantics
|March 11, 2011
PubMed
Summary
This summary is machine-generated.

Semantic web technologies, like Resource Description Framework (RDF), are being integrated into molecular sciences. This enhances cheminformatics, QSAR modeling, and proteochemometrics for better data analysis and reproducibility.

Related Experiment Videos

Last Updated: Jun 3, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
05:34

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods

Published on: June 6, 2025

Area of Science:

  • Life Sciences
  • Molecular Sciences
  • Computational Chemistry

Background:

  • Semantic web technologies, including ontologies and semantic markup, have potential in life sciences.
  • Resource Description Framework (RDF) offers versatility for broader adoption in molecular sciences.
  • Current use of semantic web in molecular sciences is limited but growing.

Purpose of the Study:

  • To integrate Resource Description Framework (RDF) approaches with established molecular chemometrics fields.
  • To demonstrate applications linking RDF technologies with cheminformatics and statistical methods.
  • To showcase the modeling of biological activity data using RDF standards.

Main Methods:

  • Utilizing existing RDF standards and cheminformatics libraries.
  • Applying RDF to data aggregation, visualization, and chemical identification.
  • Modeling IC50 and Ki values for biological targets using ChEMBL database data.

Main Results:

  • Demonstrated successful integration of RDF standards into molecular chemometrics.
  • Showcased applications in data aggregation, visualization, and property prediction.
  • Successfully modeled biological activity data (IC50, Ki) using RDF.

Conclusions:

  • Existing RDF standards are suitable for integration into molecular chemometrics workflows.
  • Platforms like Bioclipse simplify the integration of semantic web technologies.
  • RDF approaches support interoperability, reproducibility, and powerful molecular chemometrics analysis.