SCOL :

The Structural Classification of Ligands: Literature

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Literature List:

Important work on Chemical Structure Similarity and Clustering...
Structure fingerprints are very useful for obtaining a quantitative measure of the similarity between two molecules. Similarity or distance measures form the basis of cluster analysis, which allows large datasets of chemical structures to be grouped into classes, often hierarchically related. Digital Chemistry has developed software specifically for the cluster analysis of very large chemical datasets, which is widely used in the industry, and John Barnard and Geoff Downs have contributed a number of review articles on the subject. -- Julian Hayward of Digital Chemistry.
Work on Ligand Binding Prediction
Predicting ligand-binding functions in families of bacterial receptors Johnson J and Church G.
Evolutionary constraint networks in ligand-binding domains: an information-theoretic approach Nagl S, Freeman J and Smith T.
Work directly related to ligand recptor co-evolution
Co-evolution of steroidogenic and steroid-inactivating enzymes and adrenal and sex steroid receptors Baker M.
Original work on co-evolution

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