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Quantum Drug hit identification tool

Drug Hit Identification Tool calculates the IC50 (Kd, Ki, pKd) value of any protein-ligand complex, docks a small-molecule in the active site of a protein and performs screening a library of compounds against a target-protein or DNA/RNA. Hit Identification Tool consists of three modules: The IC50 module, 2) Ligand Docking and 3) Library Screening modules. Drug Hit Identification Tool can run both in Windows and Linux environments.

Hit Identification overview brochure

Quantum Receptor Based molecular modeling technology is applicable to any resolved 3D macromolecule structure. You can order our molecular docking and virtual screening services based on molecular structure indicated below or purchase Quantum software to do docking study and other research in-house:

PDB ID: 1P4U

Title: CRYSTAL STRUCTURE OF GGA3 GAE DOMAIN IN COMPLEX WITH RABAPTIN-5 PEPTIDE

Functional Class: Protein Transport

Primary citation: MILLER, G.J.,MATTERA, R.,BONIFACINO, J.S.,HURLEY, J.H. RECOGNITION OF ACCESSORY PROTEIN MOTIFS BY THE GAMMA-ADAPTIN EAR DOMAIN OF GGA3 Nat.Struct.Biol. v10 pp.599-606, 2003

Abstract Title: Recognition of accessory protein motifs by the gamma-adaptin ear domain of GGA3.

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