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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: THE NMR SOLUTION STRUCTURE OF THE PHEROMONE ER-1 FROM THE CILIATED PROTOZOAN EUPLOTES RAIKOVI |
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Functional Class: Pheromone Primary citation: Mronga, S.,Luginbuhl, P.,Brown, L.R.,Ortenzi, C.,Luporini, P.,Bradshaw, R.A.,Wuthrich, K. The NMR solution structure of the pheromone Er-1 from the ciliated protozoan Euplotes raikovi. Protein Sci. v3 pp.1527-1536, 1994 |
Abstract Title: The NMR solution structure of the pheromone Er-1 from the ciliated protozoan Euplotes raikovi.
Keywords: Synthetic, Raikovi, Mainly, Support, 1erc00, Alpha, Up-down, Construct, Membrane, Molecular, Pheromone, Models, Conformation, Bundle, Bonding, Protozoan, Alpha, Pheromones, Data, Animals, U.s., Proteins, D1erc__, Simulation, Spectroscopy, Non-u.s., Resonance, Er-1, Pheromone, (1erc:_), Research, Sequence, Hydrogen, Magnetic, Proteins, Euplotes, Computer, Solutions, P.h.s., Protein, Acid, Gov't, Pheromone, 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, ,
