fragPos
fragPos refers to a fragment position or fragment positioning. In various scientific and computational contexts, particularly within molecular modeling, cheminformatics, and drug discovery, fragPos describes the spatial arrangement or location of a molecular fragment within a larger molecule or a binding site. Understanding fragPos is crucial for analyzing molecular interactions, predicting protein-ligand binding, and designing new molecules with desired properties.
In drug discovery, fragment-based drug design (FBDD) is a prominent application where fragPos plays a key role.
Beyond FBDD, fragPos is also relevant in other areas such as materials science, where the arrangement of