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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: I53A, a point mutant of the cysteine-free variant of E. coli Rnase HI |
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Functional Class: Hydrolase Primary citation: Spudich, G.,Lorenz, S.,Marqusee, S. Propagation of a single destabilizing mutation throughout the Escherichia coli ribonuclease HI native state. Protein Sci. v11 pp.522-528, 2002 |
Abstract Title: Propagation of a single destabilizing mutation throughout the Escherichia coli ribonuclease HI native state.
Keywords: Domain, Motif, (a/b), Support, Binding, Research, Nucleic, Transferase, Enzyme, Mutation, Coli, Acid, Calf, Sandwich, Nucleotidyltransferase;, Beta, 2-layer, Alpha, D1jxba_, Escherichia, H-like, (rnase, Folding, 1jxba0, U.s., Thymus, Denaturation, Ribonuclease, Rnase, Thermodynamics, (1jxb:a), Point, Proteins, Beta, Stability, Ribonuclease, Activity, P.h.s., Protein, Crystallography, Gov't, Bacteria, X-ray, Desriptors, Training set, In silico, Studies, Development, Assessment, Scoring function, Low-frequency normal modes, Degrees of freedom, Geometry refinement (optimization), Investigation, Computation of lowest-frequency modes of, Binding energy prediction, Conformational flexibility, Pharmacophore, Three-dimensional quantitative structure activity relationship methods, Conformational analysis, Profiling, ,
