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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: NMR SOLUTION STRUCTURE OF A PEPTIDE NUCLEIC ACID COMPLEXED WITH RNA |
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Functional Class: Peptide Nucleic Acid/rna Primary citation: Brown, S.C.,Thomson, S.A.,Veal, J.M.,Davis, D.G. NMR solution structure of a peptide nucleic acid complexed with RNA. Science v265 pp.777-780, 1994 |
Abstract Title: NMR solution structure of a peptide nucleic acid complexed with RNA.
Keywords: (5'-d(*gpn*apn*apn*cpn*tpn*cpn)-3'), Synthetic, Acid, Oligodeoxyribonucleotides, Models, (5'-r(p*gp*ap*gp*up*up*c)-3'), Conformation, (176d:a), Nucleic, Peptides, (176d:b), Construct, Spectroscopy, Resonance, Molecular, Magnetic, Calculation of the ki, Competitive and noncompetitive inhibitors, Designing a ligand, Potential drug candidate, Interact specifically, Selected molecular target, Predict, In-vitro, Estimation, Determinate, Simulator, Lab, Bound small molecules, Facilitate, Modeling, Molecular modelling camm, Determination, Perform, Assisted, Computer assisted aided rational drug design, Structure based prediction, Estimate, Binds 3d models, Coordinates, Measure, In-silico, Mechanisms, Advances, Inhibits, Inhibited, Bio, Biochem, Computational, Altered, Predicted values, Properties calculated, Appropriate, Scope, Set, Computing, Blocking, Docked, Virtual screening, Inhibiting, Native, Natural, Computational drug discovery technology, Automated, Limit, Automatic,
