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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: 1KRI

Title: NMR Solution Structures of the Rhesus Rotavirus VP4 Sialic Acid Binding Domain without Ligand

Functional Class: Virus/viral Protein

Primary citation: Dormitzer, P.R.,Sun, Z.-Y.J.,Wagner, G.,Harrison, S.C. The Rhesus Rotavirus VP4 Sialic Acid Binding Domain has a Galectin Fold with a Novel Carbohydrate Binding Site Embo J. v21 pp.885-897, 2002

Abstract Title: The rhesus rotavirus VP4 sialic acid binding domain has a galectin fold with a novel carbohydrate binding site.

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