articleTop 10% cited
The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
Journal of Medicinal Chemistry · 2004 · Vol. 47(12) · pp. 2977–2980
Renxiao Wang✉(University of Michigan–Ann Arbor)Xueliang Fang(University of Michigan–Ann Arbor)Yipin Lu(University of Michigan–Ann Arbor)Shaomeng Wang(University of Michigan–Ann Arbor)
Abstract
We have screened the entire Protein Data Bank (Release No. 103, January 2003) and identified 5671 protein-ligand complexes out of 19 621 experimental structures. A systematic examination of the primary references of these entries has led to a collection of binding affinity data (K(d), K(i), and IC(50)) for a total of 1359 complexes. The outcomes of this project have been organized into a Web-accessible database named the PDBbind database.
Protein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and FunctionAffinitiesChemistryBinding affinitiesDatabaseProtein Data BankLigand (biochemistry)Protein ligandComputational biologyStereochemistryProtein structure
MeSH terms
LigandsProtein BindingProtein ConformationInternetDatabases, Protein
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1,141
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5.04
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References
The Protein Data Bank
Nucleic Acids Research · 2000 · 39,191 citations
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