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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: ROUS SARCOMA VIRUS CAPSID PROTEIN: N-TERMINAL DOMAIN |
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Functional Class: Virus/viral Protein Primary citation: Kingston, R.L.,Fitzon-Ostendorp, T.,Eisenmesser, E.Z.,Schatz, G.W.,Vogt, V.M.,Post, C.B.,Rossmann, M.G. Structure and self-association of the Rous sarcoma virus capsid protein. Structure Fold.Des. v8 pp.617-628, 2000 |
Abstract Title: Structure and self-association of the Rous sarcoma virus capsid protein.
Keywords: 1em9a0, Domain, Mainly, Humans, Support, Rous, Immunodeficiency, Research, Resonance, Sarcoma, Capsid, Molecular, Type, Protein, Viral, Avian, Orthogonal, Models, Virus, Bundle, Electron, D1em9a_, Alpha, Polyprotein, Capsid, Cycle, Structure, Secondary, Core, D1em9b_, U.s., 1em9b0, Retrovirus, Microscopy, Protein,, Virus, Magnesium, Spectroscopy, P.h.s., Non-u.s., Alpha, (1em9:a,, N-terminal, Crystallography, Capsid, Magnetic, Proteins, Life, Protein, Viruses, Tertiary, Human, Sarcoma, Protein, Gov't, 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, ,
