The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
The role of chemoinformatics in the design of a comprehensive drug ...
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Chemo<strong>in</strong>formatics: Quo vadis<br />
Molecular Informatics<br />
Field <strong>of</strong><br />
Informatics<br />
Primary<br />
Data<br />
Similarity<br />
Relationships<br />
Key<br />
Applications<br />
Bio-<br />
Prote<strong>in</strong><br />
Sequences<br />
Sequence<br />
Alignments<br />
Function Inference<br />
Structure Determ<strong>in</strong>ation<br />
Prote<strong>in</strong> Structures<br />
Structure<br />
Alignments<br />
Function Inference<br />
Structural<br />
Site Annotation<br />
B<strong>in</strong>d<strong>in</strong>g Sites<br />
Site<br />
Alignments<br />
Target Hopp<strong>in</strong>g,<br />
Cross Reactivity,<br />
Selectivity,<br />
Opportunity M<strong>in</strong><strong>in</strong>g<br />
Sites+Ligands<br />
B<strong>in</strong>d<strong>in</strong>g Mode<br />
Alignments<br />
Enhanced Screen<strong>in</strong>g,<br />
Scaffold Hopp<strong>in</strong>g,<br />
Novel Scaffolds<br />
Small Molecule Dock<strong>in</strong>g<br />
Chem-<br />
Small Molecules<br />
Molecular<br />
Similarities<br />
Screen<strong>in</strong>g<br />
Courtesy <strong>of</strong> Dr. D. Debe, Eidogen-Sertanty<br />
| Obernai| 20.06.10 | Edgar Jacoby
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