Flexible 3D pharmacophores as descriptors of dynamic biological space

Development of a pharmacophore hypothesis related to small-molecule activity is pivotal to chemical optimization of a series, since it defines features beneficial or detrimental to activity. Although crystal structures may provide detailed 3D interaction information for one molecule with its recepto...

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Vydané v:	Journal of molecular graphics & modelling Ročník 26; číslo 3; s. 622 - 633
Hlavní autori:	Nettles, James H., Jenkins, Jeremy L., Williams, Chris, Clark, Alex M., Bender, Andreas, Deng, Zhan, Davies, John W., Glick, Meir
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	United States Elsevier Inc 01.10.2007
Predmet:	3D descriptors Algorithms Biological space Chemical space Combinatorial Chemistry Techniques Databases, Factual Drug Design FEPOPS Imaging, Three-Dimensional - methods Ligands Pharmaceutical Preparations - chemistry Pharmacophore Quantitative Structure-Activity Relationship Virtual screening Virtual screening 3D descriptors Chemical space FEPOPS Biological space Pharmacophore
ISSN:	1093-3263, 1873-4243
On-line prístup:	Získať plný text
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