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Virtual screening services

Quantum is a leading company providing drug screening services in-silico and, thus, delivering to it clients strong inhibitors against variety of target-proteins

We apply our proprietary developed computational technology QUANTUM, which shows outstanding accuracy in forecasting binding affinities. The hit rate of the QUANTUM performance is about 50%, it means that a half of found in silico strong inhibitors would be confirmed in in-vitro testing!!!

Click here to download a brochure about QUANTUM hit Identification technology.


PDB ID: 2A1O

Title: Crystal structure of ferrous dioxygen complex of T252A cytochrome P450cam

Functional Class: Oxidoreductase

Primary citation: Nagano, S.,Poulos, T.L. Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism J.Biol.Chem. v280 pp.31659-31663, 2005

Abstract Title: Crystallographic study on the dioxygen complex of wild-type and mutant cytochrome P450cam. Implications for the dioxygen activation mechanism.

Keywords: Putida, Compounds, P450-cam, Support, Protoporphyrin, Molecule, Research, Enzyme, Cytochrome, Containing, Mutation, Activation, Extramural, Bonding, Potassium, Pseudomonas, Structure, Ferrous, 2-amino-2-hydroxymethyl-propane-1,3-diol, Oxygen, 5-monooxygenase, U.s., Substitution, (2a1o:a,, Camphor, Iron, Amino, Acid, Oxygen, N.i.h., Bacteria, Hydrogen, Tertiary, P.h.s., Protein, Crystallography, Gov't, X-ray, Camphor, Focused compound library, Targeted chemical collection, Pre-selected, Prescreened, Measurement, Estimation, Prediction, Hts, Uhts, High throughput screening, Ultra high-throughput screening, Development, Profiling, Hit, Lead, Hits, Leads, Drug candidate, Chemicals, Entity, Therapeutic agents, Small molecules, In vitro, Novel active compounds, Focused compound library, Targeted hit library, Entities collection, In-vitro, Vendors, Providers, Distributors, Cro, Medicinal chemists, Diverse range, Structurally diverse building blocks, Hit rich collection, Synthesized, Develop new focused arrays, Privileged scaffolds profile, Profiling, Pre-screened, Methods and principles in medicinal chemistry, Synthetic organic, Computational chemistry, Subset of, Broad variety of organic compounds, Diversity analysis, Synthetic tractability and drug like properties, Computer-aided, Optimization,


 
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