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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: SOLUTION STRUCTURE OF A PURINE(DOT)PURINE(DOT)PYRIMIDINE DNA TRIPLEX CONTAINING G(DOT)GC AND T(DOT)AT TRIPLES |
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Functional Class: DNA Primary citation: Radhakrishnan, I.,Patel, D.J. Solution structure of a purine.purine.pyrimidine DNA triplex containing G.GC and T.AT triples. Structure v1 pp.135-152, 1993 |
Abstract Title: Solution structure of a purine.purine.pyrimidine DNA triplex containing G.GC and T.AT triples.
Keywords: Synthetic, Pyrimidines, Support, (134d:a), Guanine, Research, Molecular, Composition, Substances, Models, Conformation, Construct, Bonding, Base, Non-p.h.s., Macromolecular, Data, U.s., Adenine, Study, Graphics, Spectroscopy, Resonance, Cytosine, Purines, Oligodeoxyribonucleotides, Sequence, Gov't, Magnetic, Thymine, Triplex, Nucleic, Computer, Comparative, P.h.s., Acid, Hydrogen, Desriptors, Training set, In silico, Studies, Development, Assessment, Scoring function, Low-frequency normal modes, Degrees of freedom, Geometry refinement (optimization), Investigation, Computation of lowest-frequency modes of, Binding energy prediction, Conformational flexibility, Pharmacophore, Three-dimensional quantitative structure activity relationship methods, Conformational analysis, Profiling, ,
