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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 Ferredoxin isoform II from E. arvense |
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Functional Class: Electron Transport Primary citation: Kurisu, G.,Nishiyama, D.,Kusunoki, M.,Fujikawa, S.,Katoh, M.,Hanke, G.T.,Hase, T.,Teshima, K. A structural basis of Equisetum arvense ferredoxin isoform II producing an alternative electron transfer with ferredoxin-NADP+ reductase J.Biol.Chem. v280 pp.2275-2281, 2005 |
Abstract Title: A structural basis of Equisetum arvense ferredoxin isoform II producing an alternative electron transfer with ferredoxin-NADP+ reductase.
Keywords: Homology, Hydrogen-ion, Ferredoxin-nadp, Support, Research, Field, Mutation, Molecular, Reductase, Equisetum, Conformation, (1wri:a), Electron, Benzamidine, Ferredoxins, Data, Horsetail, Ferredoxin, Fe2/s2, Non-u.s., Concentration, Acid, Sequence, Hydrogen, (inorganic), Arvense, Bonding, Cluster, Transport, Protein, Crystallography, Gov't, X-ray, 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, ,
