PMC:4331677 / 31070-32250 JSONTXT

{"target":"https://pubannotation.org/docs/sourcedb/PMC/sourceid/4331677","sourcedb":"PMC","sourceid":"4331677","source_url":"https://www.ncbi.nlm.nih.gov/pmc/4331677","text":"Compared with traditional target-based or ligand-based approaches, the proposed FIM method has the advantages of finding target candidates and ligand candidates simultaneously. Moreover, FIM can predict the interaction between previously unseen targets and ligand candidates. Different with other target-ligand based methods, our method emphasizes the basic chemical interactions between amine acids and ligand fragments, which is more general and could be applied beyond drugtarget interactions. Furthermore, we no longer represent the target as a whole but extract the ligand-binding sites from target-ligand complexes and apply the binding sites to describe the genomic space. For one hand, representing the genomic space by binding sites allows us provide site-ligand interaction prediction, which is important for multi-site targets. For another hand, the binding sites are local, which facilitate to achieve chemical interpretable model. Along this way, we break the binding sites and ligands into fragments, and regard the fragment interactions as genomic and chemical space interactions. We know clearly about how the genomic space interacts with chemical space under FIM.","tracks":[]}