Ligand binding targets

Flexible 3D alignment of a set of ligands binding to the same target and/or CoMFA analysis allowing the perception of a pharmacophore for this target. 

Depending on the information available about the protein structure and the ligands binding to a particular target, four different cases can be distinguished in drug design, as listed in Table 10.4-2. 

Ligand binding, a biochemical technique that measures the physical association of a ligand with a biological target (usually a protein) see Chapter 4.2. 

Out of the work with HT-XPIPE it became clear to the consortium that there was a need to expand the automated molecular replacement protocol embodied in HT-XPIPE to handle scenarios in which either the target was a new project or ligand-binding caused a packing change in the protein that... 

The practical utility of the target-structure-based approach in the design of chemical libraries is still limited because of the requirement of quality crystallographic data, detailed knowledge of the ligand binding mode, and... 

---