GBPM approach

Thus the GBPM approach was successfully applied to the XIAP application example, clearly indicating the most relevant features for the BIR3 domain interaction. Such information was derived starting from only one model and was able to recognize other XIAP BIR3 domain ligands. 

Our case study was carried out using the NMR-derived PDB model 1IL8, which represents an average structure of the IL8 homodimer in solution [24]. To apply the GBPM approach, taking into account the general scheme reported in Fig. 7.1, the 1IL8 chain A was considered as / subunit and the chain B as the a subunit (Fig. 7.4). 

As observed in all our GBPM applications, the first raw7 model, due to the large number of its features, was often not usable as a pharmacophore model for screening. As shown in Fig. 7.6, our approach was able to recognize cor-... 

Table 7.4 Chemical scaffold-based classification, ligand structures approach to DNA-ligand case study and PDB records of models use d to test the GBPM ... 

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