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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
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Title: SIMPLIFICATION OF A PROTEIN LOOP IN STAPHYLOCOCCAL NUCLEASE |
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Functional Class: Hydrolase Primary citation: Hodel, A.,Harkins, P.C.,Adelman, D.M.,White, M.A.,Fox, R.O. Simplification of a Protein Loop in Staphylococcal Nuclease To be Published |
Keywords: Proteins, Binding, Nucleic, Fold, E2p), Acid, Hydrolase, Nuclease, Staphylococcus, Acetyltransferase,, Beta, Ob-fold, (1eqv:a), Staphylococcal, Aureus, Thermonuclease, Beta, Barrel, D1eqva_, Mainly, 1eqva0, Diester), Activity, (phosphoric, Bacteria, (dihydrolipoamide, Calculation of the ki, Competitive and noncompetitive inhibitors, Designing a ligand, Potential drug candidate, Interact specifically, Selected molecular target, Predict, In-vitro, Estimation, Determinate, Simulator, Lab, Bound small molecules, Facilitate, Modeling, Molecular modelling camm, Determination, Perform, Assisted, Computer assisted aided rational drug design, Structure based prediction, Estimate, Binds 3d models, Coordinates, Measure, In-silico, Mechanisms, Advances, Inhibits, Inhibited, Bio, Biochem, Computational, Altered, Predicted values, Properties calculated, Appropriate, Scope, Set, Computing, Blocking, Docked, Virtual screening, Inhibiting, Native, Natural, Computational drug discovery technology, Automated, Limit, Automatic,
