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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: NMR structure of the NALP1 Pyrin domain (PYD) |
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Functional Class: Apoptosis Primary citation: Hiller, S.,Kohl, A.,Fiorito, F.,Herrmann, T.,Wider, G.,Tschopp, J.,Grutter, M.G.,Wuthrich, K. NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain Structure v11 pp.1199-1205, 2003 |
Abstract Title: NMR structure of the apoptosis- and inflammation-related NALP1 pyrin domain.
Keywords: Domain, Death, (1pn5:a), Proteins, Support, Research, Inflammation, Pyd-containing, Alpha, Transducing, (homo, Protein, Domain,, Adaptor, Apoptosis, Nacht-,, Pyrin, Sapiens), Multigene, Structure, Sapiens, Signal, Proteins, D1pn5a1, Spectroscopy, Non-u.s., Resonance, Family, Nalp1, Gov't, Magnetic, Humans, Homo, Human, Lrr-, Protein, Tertiary, 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, ,
