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Schrödinger

This category contains 208 nodes.

ConfGen Standard Deprecated

Macromodel conformational search using one of four predefined and well-characterized ligand torsion search methods.

CSV Reader Deprecated

Flexible reader for ASCII files.

Desalter Deprecated

Eliminates all molecules except the molecule with the largest number of atoms in each structure.

Desmond Molecular Dynamics Deprecated

Set up and run Desmond molecular dynamics simulations.

Desmond System Builder Deprecated

Set up a biological system to carry out Desmond simulations.

FEP+ Reader (deprecated) Deprecated

Analyze FEP calculations for the relative binding affinities of a set of congeneric ligands to a target.

Glide Ensemble Docking Deprecated

Glide Ligand Docking Deprecated

Dock Ligands using Glide SP, XP or HTVS

Glide One Step Docking Deprecated

This node performs the Glide grid generation and ligand docking.

Induced Fit Docking Deprecated

This node allows one to set up a sequence of jobs in which ligands are docked with Glide, then Prime Refinement is used to allow the receptor to relax, […]