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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: 1YLW
Title: X-ray structure of CTX-M-16 beta-lactamase
	Functional Class: Hydrolase Primary citation: Chen, Y.,Delmas, J.,Sirot, J.,Shoichet, B.,Bonnet, R. Atomic Resolution Structures of CTX-M beta-Lactamases: Extended Spectrum Activities from Increased Mobility and Decreased Stability. J.Mol.Biol. v348 pp.349-362, 2005

Abstract Title: Atomic resolution structures of CTX-M beta-lactamases: extended spectrum activities from increased mobility and decreased stability.

Keywords: Temperature, (1ylw:a), Support, Sulfate, Dichroism, Enzyme, Mutation, Coli, Molecular, Circular, Models, Anti-bacterial, Ctx-m-16, Valine, Escherichia, Structure, Folding, Kinetics, Denaturation, Sites, Non-u.s., Research, Crystallography, Binding, Beta-lactamases, Stability, Agents, Tertiary, Beta-lactamase, Protein, Acid, Gov't, Bacteria, X-ray, Aspartic, 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,