Flows#

Glide Docking#

Warning

Need a Schrödinger Glide license to run this block.

Flow for executing a Glide docking, starting with a docking grid calculation followed by the execution of the glide docking and finally an analysis of the docking results.

Horus Glide Docking flow

Alphafold, PrepWizard, Glide and PELE#

Warning

Need a Schrödinger Glide license to run this block.

Flow for generating the 3D structure of a protein with Alphafold, followed by a protein preparation with PrepWizard, a Glide docking and a PELE simulation.

Horus Alphafold, PrepWizard, Glide and PELE flow