Authorea

David Koes edited figures/ip/caption.tex over 8 years ago

Commit id: a60cae97a55deaf4e26f995d1846fbe55218380a

deletions | additions

Replace this text \label{cathgip} Cathepsin G interaction points that defined the shape constraint query with the most significant enrichment. The interaction points (magenta spheres) and fragment (magenta sticks) delineate only half the molecule and are located near a charge-charge interaction and aromatic interaction. Unlike molecular similarity, shape constraints are capable of selecting molecules that sterically match these features while ignoring the remainder of the query ligand shape and avoiding significant clashes with your caption the receptor shape (for this query the receptor was reduced by 1.5{\AA}).