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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: CRYSTAL STRUCTURE OF PI-SCEI MINIPRECURSOR |
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Functional Class: Hydrolase Primary citation: Poland, B.W.,Xu, M.Q.,Quiocho, F.A. Structural insights into the protein splicing mechanism of PI-SceI. J.Biol.Chem. v275 pp.16408-16413, 2000 |
Abstract Title: Structural insights into the protein splicing mechanism of PI-SceI.
Keywords: Splicing, Domain, 1ef0a2, Zinc, Pi-scei, Mainly, Endonuclease, (protein, I-crei, Saccharomyces, Site-specific, 1ef0b1, 1ef0b2, 1ef0b3, Yeast, Molecular, Type, Roll, (hint), Cerevisiae), D1ef0b1, Domain), Yeast, Models, (a+b), Intein, (saccharomyces, Beta, D1ef0b2, Conformation, Alpha, D1ef0b3, Data, Pi-scei;, Vma1-derived, (vde), Endonuclease, Pi-scei, Pi-scei, Beta, Homing, (1ef0:a,, Endonuclease-like, Cerevisiae, Deoxyribonucleases, Splicing, Acid, 1ef0a3, Chain, Intein, 1ef0a1, Endonuclease, Sequence, Proteins, Homology, Complex, Hedgehog/intein, D1ef0a1, D1ef0a2, D1ef0a3, Protein, Crystallography, Baker's, Endonucleases, Amino, 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, ,
