Uploaded February 2010 | Updated September 2026, 2 weeks ago
Random-looking approach to docking the red ligand in the tube. This is a nonsensical system- a large unselective pore essentially being clogged by a ligand, but I just hacked it together quickly to test a concept in MoDynamics... lets call it SteeredMoDynamics. I'd say this version failed, because the red guy appears to be feeling some attractive force rather than happening into the precise conformation after thousands (or at least dozens) of failed collisions... I'll keep at it.
Random-looking approach to docking the red ligand in the tube. This is a nonsensical system- a large unselective pore essentially being clogged by a ligand, but I just hacked it together quickly to test a concept in MoDynamics... lets call it SteeredMoDynamics. I'd say this version failed, because the red guy appears to be feeling some attractive force rather than happening into the precise conformation after thousands (or at least dozens) of failed collisions... I'll keep at it.
