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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: Reovirus core |
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Functional Class: Virus/viral Protein [ VIPERdb ] Primary citation: Reinisch, K.M.,Nibert, M.L.,Harrison, S.C. Structure of the reovirus core at 3.6 A resolution. Nature v404 pp.960-967, 2000 |
Abstract Title: Structure of the reovirus core at 3.6 A resolution.
Keywords: Viral, D1ej6a_, Support, Reovirus, Zinc, Capsid, Molecular, Protein, Lambda2, D1ej6e_, Models, Conformation, Caps, Lambda1, D1ej6c_, Structures, (1ej6:a), Sigma2, Core, (1ej6:b,, Double-stranded, (1ej6:d,, Non-u.s., Research, Resolution, Reoviridae, D1ej6b_, D1ej6d_, Components, Protein, Crystallography, Gov't, X-ray, 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,
