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  2. PDBbind database - Wikipedia

    en.wikipedia.org/wiki/PDBbind_database

    The PDBbind database is a comprehensive collection of experimentally measured binding affinity data (Kd, Ki, and IC50) for the protein-ligand complexes deposited in the Protein Data Bank (PDB). [ 1 ] [ 2 ] It thus provides a link between energetic and structural information of protein-ligand complexes, which is of great value to various studies ...

  3. BindingDB - Wikipedia

    en.wikipedia.org/wiki/BindingDB

    A NIST-sponsored workshop in September 1997 validated the concept, and funding from the NSF and NIST enabled initial development of the database with a collection of data for systems of many types, including protein-ligand, protein-protein, and host–guest binding. However, hopes that the database would be populated primarily through ...

  4. Ligand (biochemistry) - Wikipedia

    en.wikipedia.org/wiki/Ligand_(biochemistry)

    In protein-ligand binding, the ligand is usually a molecule which produces a signal by binding to a site on a target protein. The binding typically results in a change of conformational isomerism (conformation) of the target protein. In DNA-ligand binding studies, the ligand can be a small molecule, ion, [1] or protein [2] which binds to the ...

  5. Methods to investigate protein–protein interactions - Wikipedia

    en.wikipedia.org/wiki/Methods_to_investigate...

    The two proteins are then mixed and the data outputs the fraction of the labeled protein that is unbound and bound to the other protein, allowing you to get a measure of K D and binding affinity. You can also take time-course measurements to characterize binding kinetics.

  6. Scoring functions for docking - Wikipedia

    en.wikipedia.org/wiki/Scoring_functions_for_docking

    Machine-learning scoring functions have consistently been found to outperform classical scoring functions at binding affinity prediction of diverse protein-ligand complexes. [ 17 ] [ 18 ] This has also been the case for target-specific complexes, [ 19 ] [ 20 ] although the advantage is target-dependent and mainly depends on the volume of ...

  7. Glycan-protein interactions - Wikipedia

    en.wikipedia.org/wiki/Glycan-Protein_Interactions

    Lectins is a generic name for proteins with carbohydrate-recognizing domains (CRD). Although it became almost synonymous with glycan-binding proteins, it does not include antibodies which also belong to the class. Lectins found in plants and fungi cells have been extensively used in research as a tool to detect, purify, and analyze glycans.