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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: ROUS SARCOMA VIRUS CAPSID PROTEIN: C-TERMINAL DOMAIN |
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Functional Class: Virus/viral Protein Primary citation: Kingston, R.L.,Fitzon-Ostendorp, T.,Eisenmesser, E.Z.,Schatz, G.W.,Vogt, V.M.,Post, C.B.,Rossmann, M.G. Structure and self-association of the Rous sarcoma virus capsid protein. Structure Fold.Des. v8 pp.617-628, 2000 |
Abstract Title: Structure and self-association of the Rous sarcoma virus capsid protein.
Keywords: Proteins, Domain, Protein;, Mainly, Support, Protein-like, Rous, Research, Alpha, D1eoqa_, Sarcoma, Peptidyl, Protein, Molecular, Capsid, Avian, Acyl, Peptide, Orthogonal, Models, 1eoqa0, Bundle, Electron, Protein, Viruses, Protein, Structure, Secondary, Non-ribosomal, U.s., Synthetase, Retrovirus, Microscopy, Alpha, (1eoq:a), Carrier, Spectroscopy, P.h.s., Non-u.s., Resonance, Capsid, Capsid, Chain, Magnetic, Humans, Virus, C-terminal, Carrier, Polyprotein, X-ray, Sarcoma, Crystallography, Gov't, Tertiary, Machinery, Predictive powers, Simulation, Accuracy, Dissociation, Constant, Ligand docking, Performance, Kd, Relative selectivity, Associated, Confirmed, Yielded, Van der waals, Nanomolar, Correlation, Known, Cadd, Experimental, Comparison, Binding constant, Protein-ligand complexes, Proof of concept, Average, Absolute, Error, Kj/mol, Relative error, Rmsd, Applications, Technology developers, Platform, Range, Outstanding, Pkd, Molar, Dissolution, Dissociation constant, Pk, Receptor, Ab-initio, First principals chemoinformatics, Sar and pharmacological studies, Multigrid methods, Local optimization, Identification of low energy, Temperature, Nmol, Entropy contribution, Discativate,







