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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: 1EJ5

Title: SOLUTION STRUCTURE OF THE AUTOINHIBITED CONFORMATION OF WASP

Functional Class: Blood Clotting

Primary citation: Kim, A.S.,Kakalis, L.T.,Abdul-Manan, N.,Liu, G.A.,Rosen, M.K. Autoinhibition and activation mechanisms of the Wiskott-Aldrich syndrome protein. Nature v404 pp.151-158, 2000

Abstract Title: Autoinhibition and activation mechanisms of the Wiskott-Aldrich syndrome protein.

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