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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: CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR, NMR |
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Functional Class: Cyanobacterial Toxin Primary citation: Bagu, J.R.,Sonnichsen, F.D.,Williams, D.,Andersen, R.J.,Sykes, B.D.,Holmes, C.F. Comparison of the solution structures of microcystin-LR and motuporin. Nat.Struct.Biol. v2 pp.114-116, 1995 |
Abstract Title: Comparison of the solution structures of microcystin-LR and motuporin.
Keywords: Microcystis, Phosphatase, Molecular, Models, Phosphoprotein, Microcystin-lr, Data, Structure, Cyclic, Study, Peptides, Spectroscopy, Resonance, Sequence, Magnetic, Binding, (1evb:_), Solutions, Comparative, Protein, Acid, Tertiary, Amino, Designing a ligand - a potential drug candidate, Interact specifically, Selected molecular target, Predict, In-vitro, Estimation, Determinate, Simulator, Lab, Bound, Small molecules faciliate, 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,
