You have accessed back-upped version of our site. Please reffer to new home page for a more up-to-date information.
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![]()
|
|
Title: FTSJ RNA METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLMETHIONINE |
|
![]() |
Functional Class: Transferase Primary citation: Bugl, H.,Fauman, E.B.,Staker, B.L.,Zheng, F.,Kushner, S.R.,Saper, M.A.,Bardwell, J.C.,Jakob, U. RNA methylation under heat shock control. Mol.Cell v6 pp.349-360, 2000 |
Abstract Title: RNA methylation under heat shock control.
Keywords: Homology, Methyltransferases, 1eiza0, Proteins, Support, S-adenosylmethionine, Research, Fold, Arabidopsis, Beta, Rossmann, Elegans, Coli, Animals, Reading, Molecular, Sandwich, (a/b), Models, Schizosaccharomyces, Beta, Alpha, Recombinant, Data, Escherichia, Structure, Secondary, D1eiza_, Ribosomes, Methylation, (1eiz:a), U.s., Proteins, Ftsj, 3-layer(aba), Ftsj, S-adenosyl-l-methionine-dependent, Non-u.s., Heat-shock, Methanococcus, Bacterial, Methyltransferases, Crystallography, Sequence, Transferase, Gov't, Humans, S-adenosylmethionine, Methyltransferase, Caenorhabditis, Alignment, Ribosomal, Frames, P.h.s., Protein, Acid, Open, Bacteria, X-ray, Amino, 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,







