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» SuperDrug: a conformational drug database
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BIOINFORMATICS
2005
49views more  BIOINFORMATICS 2005»
13 years 4 months ago
SuperDrug: a conformational drug database
Andrean Goede, Mathias Dunkel, Nina Mester, Cornel...
BMCBI
2006
84views more  BMCBI 2006»
13 years 4 months ago
Representation of target-bound drugs by computed conformers: implications for conformational libraries
Background: The increasing number of known protein structures provides valuable information about pharmaceutical targets. Drug binding sites are identifiable and suitable lead com...
Stefan Günther, Christian Senger, Elke Michal...
NAR
2011
227views Computer Vision» more  NAR 2011»
12 years 11 months ago
VnD: a structure-centric database of disease-related SNPs and drugs
Numerous genetic variations have been found to be related to human diseases. Significant portion of those affect the drug response as well by changing the protein structure and fu...
Jin Ok Yang, Sangho Oh, Gunhwan Ko, Seong-Jin Park...
NAR
2006
120views more  NAR 2006»
13 years 4 months ago
SuperNatural: a searchable database of available natural compounds
Although tremendous effort has been put into synthetic libraries, most drugs on the market are still 10 natural compounds or derivatives thereof. There are encyclopaedias of natur...
Mathias Dunkel, Melanie Füllbeck, Stefanie Ne...
JIB
2006
106views more  JIB 2006»
13 years 4 months ago
A structural keystone for drug design
3D-structures of proteins and potential ligands are the cornerstones of rational drug design. The first brick to build upon is selecting a protein target and finding out whether b...
Kristian Rother, Mathias Dunkel, Elke Michalsky, S...