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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: GREEN FLUORESCENT PROTEIN FROM AEQUOREA VICTORIA, MUTANT |
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Functional Class: Luminescence Primary citation: Palm, G.J.,Zdanov, A.,Gaitanaris, G.A.,Stauber, R.,Pavlakis, G.N.,Wlodawer, A. The structural basis for spectral variations in green fluorescent protein. Nat.Struct.Biol. v4 pp.361-365, 1997 |
Abstract Title: The structural basis for spectral variations in green fluorescent protein.
Keywords: Mainly, Support, Research, Fluorescent, Luminescent, Green, Mutation, Molecular, Models, (a+b), Gfp-like, Conformation, Beta, Protein,, Victoria), Fluorescent, Protein, Jellyfish, 1emf00, U.s., Proteins, Aequorea, Analysis, Victoria, Beta, Green, D1emf__, Alpha, Fluorescent, Barrel, Proteins, Spectrum, (1emf:_), (aequorea, P.h.s., Protein, Crystallography, 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, ,
