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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: X-RAY CRYSTAL STRUCTURE ANALYSIS OF CANINE MILK LYSOZYME (HOLO-TYPE) |
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Functional Class: Hydrolase Primary citation: Koshiba, T.,Yao, M.,Tanaka, I.,Nitta, K. Calcium Induced Conformational Changes of Canine Milk Lysozyme Revealed by Structural and Thermodynamical Evidences To be Published |
Keywords: (canis, 1el1a0, Lysozyme, Wall, Proteins, Familiaris),, Lysozyme, Calcium, Milk, Hydrolase, Catabolism, Orthogonal, (a+b), D1el1a_, Bundle, Cell, C-type, Alpha, Extracellular, Lysozyme-like, Familiaris, Activity, 1el1b0, Beta, Region, (1el1:a,, D1el1b_, Mainly, Canis, Lysozyme, 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,
