: Features a 3D interface for visualizing molecular alignments and interaction patterns. Core Features & Tools
LigandScout handles constrained peptides. It treats macrocyclic rings as "shape constraints" and allows for hydrogen bond directionality, critical for peptidomimetics. ligandscout software
Once a query model is built, LigandScout can screen millions of conformers of a compound library (like ZINC, ChEMBL, or Enamine) in minutes. It uses a that prunes impossible conformations early, ranking hits by pharmacophore fit score. : Features a 3D interface for visualizing molecular
If you are serious about structure-based drug design, LigandScout is not a "nice to have." It is a force multiplier. Download the trial, upload your target PDB, and watch as the hidden rules of your binding site reveal themselves in vibrant 3D color. upload your target PDB