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. 2004 Jun 3;47(12):2977-80.
doi: 10.1021/jm030580l.

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

Renxiao Wang  1 , Xueliang Fang, Yipin Lu, Shaomeng Wang
Affiliations

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

Renxiao Wang et al. J Med Chem. .

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.

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