OEClassicΒΆ
- BROOD - 3D Fragment Replacement
- EON - Shape Alignment and Electrostatic Similarity Scoring
- Fingerprint Search - Small Scale 2D Similarity
- FreeForm - Aqueous Ligand Configurational Free Energies with SZYBKI
- FreeForm - Bound Ligand Configurational Free Energies with SZYBKI
- FreeForm - Ligand Solvation Energies with SZYBKI
- GamePlan - Ligand Design with Water Analysis using SZMAP
- OEDocking - Dock into an Active Site for Virtual Screening
- OMEGA - 3D Conformer Ensemble Generation
- OMEGA - Conformer Generation for Macrocycles
- OMEGA - Generate a Single 3D Conformer
- POSIT - Ligand Guided Small Molecule Posing
- ROCS - Shape Based Alignment for Virtual Screening
- ROCS Query Model Builder
- ROCS, FastROCS - Import Shape Query to Record
- Receptor In DU
- SPRUCE - DesignUnit Format Type Updater
- SPRUCE - Import Prepared PDB Files
- SPRUCE - Protein Preparation from PDB Codes
- SPRUCE - Protein Preparation from PDB Files
- SZYBKI - Ligand Minimization in a Flexible Active Site
- SZYBKI - Ligand Minimization in a Rigid Active Site
- SZYBKI - Small Molecule Hydrogen-Only Minimization
- SZYBKI - Small Molecule Minimization
- Substructure Search - Small Scale Substructure Matching