Prime MM-GBSA

The Prime MM-GBSA approach is used to predict the free energy of binding for a receptor and a set of ligands.

Backend implementation

$SCHRODINGER/prime_mmgbsa
The command line tool prime_mmgbsa is used to implement this node.

Input ports

1. Type: Table
   Pose viewer in Maestro format
   Pose viewer file containing receptor and ligands in Maestro format

Output ports

1. Type: Table
   Pose viewer in Maestro format
   Pose viewer file containing receptor and ligands (with additional properties) in Maestro format