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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 HUMAN ONCOSTATIN M |
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Functional Class: Cytokine Primary citation: Deller, M.C.,Hudson, K.R.,Ikemizu, S.,Bravo, J.,Jones, E.Y.,Heath, J.K. Crystal structure and functional dissection of the cytostatic cytokine oncostatin M. Structure Fold.Des. v8 pp.863-874, 2000 |
Abstract Title: Crystal structure and functional dissection of the cytostatic cytokine oncostatin M.
Keywords: Transduction, Proteins, Humans, Support, Cytokine, Receptors, Research, D1evsa_, Up-down, Receptor, 4-helical, Oncostatin, (homo, Molecular, Cytokines, Site-directed, Cytokine, Oncostatin-m, Conformation, Bundle, Cell, Immune, Regulation, Growth, Sapiens), 1evsa0, Alpha, Data, Extracellular, Sapiens, Cytokine, Mutagenesis, Binding, Signal, Peptides, Chain:, Non-u.s., Alpha, Response, Growth, Hormone;, Oncostatin, Sequence, Region, Mainly, Homo, Long-chain, (1evs:a), Human, Activity, Protein, Gov't, 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, ,
