Ligand-induced changes in the binding sites of proteins

Title	Ligand-induced changes in the binding sites of proteins
Publication Type	Journal Article
Year of Publication	2002
Authors	Fradera, X, Cruz D LX, Silva CH, Gelpi JL, Luque FJ, Orozco M
Journal	Bioinformatics (Oxford, England)
Volume	18
Issue	7
Pagination	939 - 948
Date Published	2002/07//
Keywords	Amino Acid Sequence; Binding Sites/genetics; Cluster Analysis; Databases, Molecular; Models, Nonparametric; Structure-Activity Relationship, Protein/methods; Statistics, Protein; Ligands; Macromolecular Substances; Models, Statistical; Molecular Sequence Data; Protein Binding/genetics; Protein Conformation; Proteins/chemistry/genetics/metabolism; Reproducibility of Results; Sensitivity and Specificity; Sequence Analysis
Abstract	Classical molecular interaction potentials, in conjunction with other theoretical techniques, are used to analyze the dependence of the binding sites of representative proteins on the bound ligand. It is found that the ligand bound introduces in general small structural perturbations at the binding site of the protein. However, such small structural changes can lead to important alterations in the recognition pattern of the protein. The impact of these findings in docking procedures is discussed.

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