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Method filter: Protein Ligand Interaction Fingerprints (PLIF)

Protein and Ligand Structural Analysis
Understand ligand-protein interactions and predict ligand binding modes
Protein analysis
Maximize the information from your crystal structure, molecular dynamics and pocket detection
Protein Ligand Interaction Fingerprints (PLIFs)
Cluster your molecular data to enable direct comparison across systems
Using Protein-Ligand Interaction Fingerprints to Cluster Your Molecular Data
Molecular fingerprints, which efficiently describe molecular structures and allow rapid comparison of similarity, are particularly valuable...
Flare™ V10 released: Absolute Free Energy Perturbation Calculations, Protein-Protein Docking and more enhanced features
The new Flare release brings new and enhanced scientific features both for computational and medicinal chemists. These include significantly...