Identification of the Druggable Concavity in Homology Models Using the PLB Index

Identification of the druggable concavity, in which drug-like molecules are highly inclined to bind, is an important step in structure-based drug design. We previously proposed an index named PLB (propensity for ligand binding), which is based on the amino acid composition characteristically observe...

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Veröffentlicht in:	Journal of chemical information and modeling 2007-11, Vol.47 (6), p.2287-2292
Hauptverfasser:	Soga, Shinji, Shirai, Hiroki, Kobori, Masato, Hirayama, Noriaki
Format:	Artikel
Sprache:	eng
Schlagworte:	Amino Acid Sequence Binding sites Databases, Protein Ligands Models, Molecular Molecular Sequence Data Molecules Protein Structure, Secondary Protein Structure, Tertiary Proteins Proteins - chemistry Sequence Alignment Structural Homology, Protein Studies X-rays
Online-Zugang:	Volltext
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