Hierarchical Graph Representation of Pharmacophore Models
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2020.599059
Abstract: For the investigation of protein-ligand interaction patterns, the current accessibility of a wide variety of sampling methods allows quick access to large-scale data. The main example is the intensive use of molecular dynamics simulations applied… read more here.
Keywords: representation pharmacophore; graph representation; hierarchical graph; pharmacophore models ... See more keywords