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: SOLVENT ORGANIZATION IN AN OLIGONUCLEOTIDE CRYSTAL: THE STRUCTURE OF D(GCGAATTCG)2 AT ATOMIC RESOLUTION |
|
 |
Functional Class: DNA Primary citation: Soler-Lopez, M.,Malinina, L.,Subirana, J.A. Solvent organization in an oligonucleotide crystal. The structure of d(GCGAATTCG)2 at atomic resolution. J.Biol.Chem. v275 pp.23034-23044, 2000 |
Abstract Title: Solvent organization in an oligonucleotide crystal. The structure of d(GCGAATTCG)2 at atomic resolution.
Keywords: Synthetic, Support, Research, Molecular, Models, (1enn:a,, Conformation, Construct, Water, Base, Chloride, Oligonucleotides, Solvents, Magnesium, Atom, Non-u.s., Oxygen, Sequence, Nucleic, Acid, Gov't, (5'-d(*gp*cp*gp*ap*ap*tp*tp*cp*g)-3'), Designing a ligand - a potential drug candidate, Interact specifically, Selected molecular target, Predict, In-vitro, Estimation, Determinate, Simulator, Lab, Bound, Small molecules faciliate, 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,
