MD trajectories related to publication: 3-Hydroxy-6H,7H-chromeno [3,4-c]chromene-6,7-dione is a new multienzyme substrate for studying glucuronidation, sulfonation and lactone hydrolysis.

MD simulation raw data of 3 isoforms of paraoxonases (PON1, PON2 and PN3) related to publication: "3-Hydroxy-6H,7H-chromeno [3,4-c]chromene-6,7-dione is a new multienzyme substrate for studying glucuronidation, sulfonation and lactone hydrolysis."

Zipped tar archive (linux-tgz file) containing Desmond simulation trajectories of paraoxonase insoforms 1-3 in complex with 3-Hydroxy-6H,7H-chromeno [3,4-c]chromene-6,7-dione. Archive includes raw data of 5 replicas [0.75 us each] merged to single gromacs format xtc trajectories accompanied with topology cms-file.