There are 3029 nodes that can be used as successor
for a node with an output port of type Table.
Sorts and filters complexes according to Prime Energy.
The Induced Fit predict sidechains within a distance around the ligand.
The Protein Refinement does a constrained minimization of the protein. Its main purpose is to relax the hydrogens.
Preparation of proteins for use in calculations with other Schrödinger products.
Rigid Rotor Harmonic Oscillator (RRHO)
Iterates over an input data table, whereby each row is passed into the body of the loop.
Launch Canvas
Screens a list of molecules against a shape query. Each conformer from a given molecule is aligned to the query in various ways, and a similarity is […]
The Side Chain Remover should be used to trim flexible side chains which might clash with the ligands to be docked.
Labels stereochemical features or generates structures based upon the chiral properties of the chiral atoms in the structure.
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