Ubiquitin

GRL-0617 (Gromacs 2018.2, force field: CHARMM27): 

6XAA_GRL-1: In complex with ubiquitin + GRL-0617 bound to the naphthalene binding pocket (100 ns, 147133 atoms)

6XAA_GRL-2: In complex with ubiquitin + GRL-0617 bound to the naphthalene binding pocket (100 ns, 147133 atoms)

6XAA_GRL-3: In complex with ubiquitin + GRL-0617 bound to the naphthalene binding pocket (100 ns, 147133 atoms)

Hypericin (Gromacs 2018.2, force field: CHARMM27): 

6XAA_HPCN-1: In complex with ubiquitin + hypericin bound to the naphthalene binding pocket (100 ns, 147162 atoms)

6XAA_HPCN-2: In complex with ubiquitin + hypericin bound to the naphthalene binding pocket (100 ns, 147162 atoms)

6XAA_HPCN-3: In complex with ubiquitin + hypericin bound to the naphthalene binding pocket (100 ns, 147162 atoms)