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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.
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Title: Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9 |
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Functional Class: Hydrolase Primary citation: Yang, H.,Xie, W.,Xue, X.,Yang, K.,Ma, J.,Liang, W.,Zhao, Q.,Zhou, Z.,Pei, D.,Ziebuhr, J.,Hilgenfeld, R.,Yuen, K.Y.,Wong, L.,Gao, G.,Chen, S.,Chen, Z.,Ma, D.,Bartlam, M.,Rao, Z. Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases. Plos Biol. v3 pp.324-334, 2005 |
Abstract Title: Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Keywords: N-(3-furoyl)-d-valyl-l-valyl-n~1~-((1r,2z)-, 3c-like, (2amd:a,, Coronavirus, Yl]methyl}but-2-enyl)-d-leucinamide, Viruses, Sars, Proteinase, 4-ethoxy-4-oxo-1-{[(3s)-2-oxopyrrolidin-3-, Chemicals, Cheminformatics, Chemistry projects, Collaborative services, Collection, Collections, Combichem, Combinatorial chemistry, , Combinatorial services, Compound collections, Compound design, Compound libraries, Compound sets, Compound synthesis, Compound screening, Compounds, Computational design, Contract research organisation, Custom screening, Customised libraries, Database, Discovery, Diverse, Diverse compound collections, Diverse screening libraries, Diversity, Drug design, Drug development, Gene protein coupled receptors, Hit-to-lead, Hit generation, Htos, Hts, I nformatics, Ion channels, Lead discovery, Lead generation, Lead profiling, Lead optimisation, Libraries of chemical compounds, Medicinal chemistry, Molecular, Molecular diversity, Molecular diversity screening, Molecular formula, Molecular informatics, Molecular screening, Molecule, Organic,
