Pharmacophore Model Generation

A great variety of methods and techniques are now available for pharmacophore model generation. These methods are based on the appropriate choice of the ligand set (ligand-based, when much information is available on different ligand classes), and/or on one or more target/antitarget proteins (structure-based, particularly useful when... 

Pharmacophore Model Generation Software Tools GASP... 

The HypoGen algorithm is designed to correlate structure and activity data for pharmacophore model generation. 

Most automated pharmacophore model generators are equipped with an internal scoring method to rank different hypotheses (here termed ranking function ) and provide the expert with the most relevant solutions. Indeed, real-life... 

Box 2. Ligand-based automated pharmacophore model generators Catalyst HipHop [9]... 

For each of the selected target proteins, a set of 10 pharmacophore models was generated based on receptor-inhibitor complexes from the PDB. The three allosteric sites of hepatitis C virus (HCV) polymerase were represented by three, five, and two models, respectively. Structure-based pharmacophore model generation was performed with the software LIGANDSCOUT using the default settings and... 

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