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FEP+ Reader

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

Node details

Output ports
  1. Type: Table
    Overview
    Overview
  2. Type: Table
    Analysis
    Analysis
  3. Type: Table
    Health
    Health

Extension

The FEP+ Reader node is part of this extension:

Related workflows & nodes

  1. FEP trajectory information 1
    An overview (predictions along with the ligand 2D structures) of a set of single edge FEP…
    schroedinger > Workflow_examples > Molecular Dynamics > FEP > FEP analysis 1
  2. FEP trajectory information 2
    An overview (predictions along with the ligand 2D structures) of a set of single edge FEP…
    schroedinger > Workflow_examples > Molecular Dynamics > FEP > FEP analysis 1-2