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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: YEAST INITIATION FACTOR 4A N-TERMINAL DOMAIN |
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Functional Class: Gene Regulation Primary citation: Johnson, E.R.,McKay, D.B. Crystallographic structure of the amino terminal domain of yeast initiation factor 4A, a representative DEAD-box RNA helicase RNA v5 pp.1526-1534, 1999 |
Abstract Title: Crystallographic structure of the amino terminal domain of yeast initiation factor 4A, a representative DEAD-box RNA helicase.
Keywords: Domain, Atp-dependent, (a/b), Factors, Proteins, Support, Binding, 3-layer(aba), Helicases, Research, Nucleic, Fold, Initiation, Rossmann, Fragments, Desorption-ionization, Hydrolases, (saccharomyces, Molecular, Eukaryotic, Containing, Sandwich, Peptide, Yeast, Models, P-loop, D1qvaa_, Nucleotide, Conformation, Triphosphate, Matrix-assisted, Beta, Tandem, Initiation, Nucleoside, Factor, Alpha, Recombinant, Data, Structure, Secondary, Cerevisiae), Factor-4a, Laser, Activity, Yeast, U.s., Non-p.h.s., Proteins, Beta, Mass, (1qva:a), Helicase, Spectrometry, Cerevisiae, Amino, 1qvaa0, Acid, Sequence, Baker's, Aaa-atpase, Acid, Saccharomyces, Factor, P.h.s., Protein, Crystallography, Gov't, X-ray, 3d-qsar technique, Qm/mm, Structure-based rational drug design, Knowledge based, Rule-based expert system predictions of drug candidates discovery informatics, Solutions for computational chemists, Computational chemistry software, High-throuput virtual screening, High throughput discovery, Ligand receptor docking, Framework consisting of a network of atoms with interconnecting bonds ligand-receptor binding free energies, Analyser, Calculator, Estimator, Molecular analysis, 3d molecular model building software, Predictions computational methods, Van der waals, Van der waals, Web based, Molecular simulations, Computational out-sourcing, Molecular design, Contract research services, Hit generation, Lead discovery, Lead generation, Drug discovery tool, Drug discovery platform, Novel drug candidates, Peptide, Structure based drug design, Research, De-novo, Force fields, Pipeline, Dft, Hartree-fock, Proprietary computational technology, Quantum methods, Cutting-edge technology, Build new leads, Proprietary tools for structure based drug design, Computer application tool, The accurate calculation of binding free energy, In-house, Tools for the docking, Screening, And lead optimization procedures, Protein-ligand complex,







