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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: Structure of HIV-1 protease bound to atazanavir |
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Functional Class: Hydrolase Primary citation: Clemente, J.C.,Coman, R.M.,Thiaville, M.M.,Janka, L.K.,Jeung, J.A.,Nukoolkarn, S.,Govindasamy, L.,Agbandje-McKenna, M.,McKenna, R.,Leelamanit, W.,Goodenow, M.M.,Dunn, B.M. Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry v45 pp.5468-5477, 2006 |
Abstract Title: Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
Keywords: Viral, (2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic, Dimethyl, (2aqu:a,, Sites, Genetic, Hydrophobicity, Ester, Acid, Molecular, Relationship, Models, (3s,8s,9s,12s)-3,12-bis(1,1-dimethylethyl)-, Immunodeficiency, Virus, 8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-, Type, Support, Polymorphism, Oligopeptides, Structure-activity, Extramural, Substitution, Kinetics, Drug, Virus, Polyprotein, Pyridines, Inhibitors, Protease, Acid, Research, N.i.h., Binding, Resistance, Human, Crystallography, X-ray, Amino, 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,
