OpenEye Classic Floes - Documentation
- BROOD - 3D Fragment Replacement
- BROOD - 3D Fragment Similarity
- BROOD - DB File to Collection
- BROOD - Fragments Conformer Generation
- BROOD - Query Builder
- CHOMP - Generate BROOD Fragment Database
- Calculate Atropisomerism
- Calculate Dipole Moment
- EON - Shape and Electrostatic Similarity Alignment
- Filter Docking Hits by Interactions
- 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
- QUACPAC - Partial Charges
- QUACPAC - Tautomer Enumeration and Analysis
- ROCS - Shape Based Alignment for Virtual Screening
- ROCS Query Model Builder
- ROCS, FastROCS - Import Shape Query to Record
- Receptor In DU
- SPRUCE - Import Prepared PDB Files
- SPRUCE - OEDesignUnit Format Type Updater
- SPRUCE - Protein Preparation
- SZYBKI - Ligand Minimization in a Flexible Active Site
- SZYBKI - Ligand Minimization in a Rigid Active Site
- SZYBKI - Single point MMPBSA
- SZYBKI - Small Molecule Hydrogen-Only Minimization
- SZYBKI - Small Molecule Minimization
- Substructure Search - Small Scale Substructure Matching