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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: 1PNO

Title: Crystal structure of R. rubrum transhydrogenase domain III bound to NADP

Functional Class: Oxidoreductase

Primary citation: Sundaresan, V.,Yamaguchi, M.,Chartron, J.,Stout, C.D. Conformational Change in the NADP(H) Binding Domain of Transhydrogenase Defines Four States Biochemistry v42 pp.12143-12153, 2003

Abstract Title: Conformational change in the NADP(H) binding domain of transhydrogenase defines four states.

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