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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: EIF4E/EIF4G PEPTIDE/7-METHYL-GDP |
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Functional Class: Translation Primary citation: Marcotrigiano, J.,Gingras, A.C.,Sonenberg, N.,Burley, S.K. Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G. Mol.Cell v3 pp.707-716, 1999 |
Abstract Title: Cap-dependent translation initiation in eukaryotes is regulated by a molecular mimic of eIF4G.
Keywords: (1ejh:a,, 1ejha0, Research, Molecular, 4gii, Sandwich, Biosynthesis, Eukaryotic, Factor, D1ejhb_, Secondary, 1ejhb0, Phosphoproteins, D1ejha_, Phosphorylation, Non-u.s., Binding, Activity, Protein, Mouse, D1ejhd_, Proteins, 1ejhc0, Initiation, Factor, Fragments, Murine, Caps, Diphosphate, Initiation, Mice, U.s., Musculus, 1ejhd0, Proteins, Guanosine, 7n-methyl-8-hydroguanosine-5'-diphosphate, Cap,, Factor, Gov't, D1ejhc_, X-ray, Amino, Synthetic, Musculus), (mus, Support, Deletion, Translational, Crystallization, Mimicry, Peptide, Models, (a+b), Construct, Beta, Initiation, Eif4e, Data, (1ejh:e,, Factor-4g, Factor-4f, Factor-4e, 2-layer, Translation, Translation, Conserved, Crystallography, Factors, Cytoplasm, Binding, Sites, Eukaryotic, Eif4e, Animals, Alpha, Structure, Beta, Carrier, Sequence, Humans, P.h.s., Acid, Linear scaling, Quantum mechanics, Quantitative structure/activity relationship, Receptor are scored, Hierarchical filter, Genetic algorithm for protein-ligand docking, 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 based 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, Web based, Molecular simulations, Computational out-sourcing, Molecular design, Contract research services, Hit generation, Three dimensional, Htos, 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,







