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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: 1Q8O

Title: Pterocartpus angolensis lectin PAL in complex with the dimmanoside Man(alpha1-2)Man

Functional Class: Sugar Binding Protein

Primary citation: Loris, R.,Van Walle, I.,De Greve, H.,Beeckmans, S.,Deboeck, F.,Wyns, L.,Bouckaert, J. Structural Basis of Oligomannose Recognition by the Pterocarpus angolensis Seed Lectin J.Mol.Biol. v335 pp.1227-1240, 2004

Abstract Title: Structural basis of oligomannose recognition by the Pterocarpus angolensis seed lectin.

Keywords: Synthetic, Homology, Agglutinin, Mainly, Support, Sites, D1q8oa_, (1q8o:null), Calcium, Beta, Alpha-d-mannose, Pterocarpus, Plant, Molecular, Oligosaccharides, O1-methyl-mannose, Models, Sandwich, Jelly, 1q8oa0, Conformation, Construct, Beta, Crystallization, Binding, Pyroglutamic, (2-mer), Lectins, Acid, D1q8ob_, Angolensis, Bloodwood, A-like, Legume, Mannose, Seeds, Maackia, Manganese, (1q8o:a,, Non-u.s., Sugar, Lectins/glucanases, (pterocarpus, 1q8ob0, (ii), Research, Lectins, Data, Sequence, Tree, Rolls, Angolensis), Lectin, Proteins, Acid, Gov't, Concanavalin, Amino, 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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