Embedded Files
End-to-end processing of raw LC-MS/MS data to cluster molecular families, annotate known phytoconstituents against spectral libraries, and flag novel natural product leads
3D Pharmacophore Modeling & Screen
Maps the essential chemical features (like hydrogen bonds, charges, or hydrophobic spots) needed for a molecule to bind a target. We quickly filter large compound databases or extract lists down to the most promising candidate hits based on spatial feature matching.
Predicts the binding orientations, active-site conformations, and binding affinities of small molecules within target protein structures. Delivers detailed 2D and 3D interaction maps, highlight key hydrogen bonds and hydrophobic interactions, and rank candidate ligands prior to wet-lab synthesis or in vitro validation.
Simulates how a protein-compound complex moves and behaves over time in a realistic physiological environment. We check if the molecule stays stably in place, ensuring your top hits don't slip out before moving to lab testing.
Page updated
Google Sites
Report abuse