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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: 1LW6

Title: Crystal Structure of the Complex of Subtilisin BPN' with Chymotrypsin Inhibitor 2 at 1.5 Angstrom Resolution

Functional Class: Hydrolase

Primary citation: Radisky, E.S.,Koshland Jr., D.E. A clogged gutter mechanism for protease inhibitors. Proc.Natl.Acad.Sci.USA v99 pp.10316-10321, 2002

Abstract Title: A clogged gutter mechanism for protease inhibitors.

Keywords: (hordeum, Sulfate, Inhibitors, Amyloliquefaciens,, Serine, (1lw6:e), Sandwich, Family, Wounding, Substrate, Vulgare), Peptides, Serine-type, Research, Subtilisin-chymotrypsin, Subunit, 1lw6i0, Proteins, Serine, Activity, Protein, Sodium, Subtilisin-like, Fold, Subtilisin, Amyloliquifaciens, Rossmann, Inhibitor-2a, Vulgare, Inhibitors, D1lw6e_, Protease, U.s., Hydrolysis, (1lw6:i), Chain, Serine, Specificity, Gov't, Anion, Protease, (a/b), Support, Sulfate, Chymotrypsin, Barley, Novo/bpn', Proteolysis, Bacillus, (a+b), Ci-2, Beta, 1lw6e0, 2-layer, Inhibitor, Inhibitor, Tertiary, 3-layer(aba), Bpn', Calcium, Acylation, Hordeum, Endopeptidase, Subtilisins, Alpha, Structure, Beta, D1lw6i_, Trypsin, Subtilases, Response, Subtilase, Dodecyl, Subtilisin, P.h.s., Proteinase, Bacteria, Synthesis, Synthetic, Throughput, Through-put, Ultra-high-throughput screening, Uhts, Active compounds, Beckman deepwell plates, Biotechnology, Database, Design, Discovery, Diverse, Diversity, Drug, Drug screening, Drug-like, High, High throughput pharmacological properties, Htos, Isis/bas, Druglike, Structural, Fragment, Filtration, Selection, Fine chemicals, Biotechnology reagents, Buffers, Natural products, Database, Physico-chemical properties, Diversity analysis, Prediction, Logp, Logd, Screening products, Assay development, Bioinformatics, Biologically active molecules, Biology, Pharmacophore analysis, Combinatorial screening libraries, Molecular structures, Biotech, Chemical, Chemical compound database, High throughput screening, Contract research servise, Services,


 
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