An Integrated in Silico Analysis of Drug-Binding to Human Serum Albumin

Approaches such as quantitative structure−activity relationships (QSAR) and molecular modeling are integrated with the study of complex networks to understand drug binding to human serum albumin (HSA). A robust QSAR model using the topological substructural molecular descriptors/design (TOPS-MODE) a...

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Veröffentlicht in:	Journal of chemical information and modeling 2006-11, Vol.46 (6), p.2709-2724
Hauptverfasser:	Estrada, Ernesto, Uriarte, Eugenio, Molina, Enrique, Simón-Manso, Yamil, Milne, George W. A
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Binding Sites Chemistry, Pharmaceutical - methods Drug Design Drugs Humans Informatics Models, Chemical Models, Molecular Models, Statistical Pharmacology Protein Binding Proteins Quantitative Structure-Activity Relationship Serum Albumin - chemistry Software Technology, Pharmaceutical - methods
Online-Zugang:	Volltext
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