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China
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Home | Computational Insights into Drug Discovery | lephar.com Reviews
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Computational Insights into Drug Discovery
Home | Lephar Research
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Computational service and consultancy in drug discovery. Inspiration, Imagination, and Innovation. Drug discovery is plagued by high attrition rates at all stages. According to a new study by the Tufts Center for the Study of Drug Development, the average cost for bringing a new drug on the market is estimated to be $2.6 billion. In view of such an enormous challenge in drug discovery, Lephar Research is committed to continuous innovation and scientific excellence. To accelerate the drug discovery proces...
Publications | Lephar Research
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Computational service and consultancy in drug discovery. Enriching screening libraries with bioactive fragment space. Bioorg Med Chem Lett 2016, online. The gatekeeper residue influences the mode of binding of acetyl indoles to bromodomains. J Med Chem 2016, 59, 3087-97. Three stories on Eph kinase inhibitors: From in silico discovery to in vivo validation. Eur J Med Chem 2016, 112, 347-366. Rational design of coumarin derivatives as CK2 inhibitors by improving the interaction with the hinge region.
Service | Lephar Research
http://www.lephar.com/service.htm
Computational service and consultancy in drug discovery. Illustration of fragment-based high-throughput virtual screening cascade. Hit identification often starts from screening of a large compound library. The overall chemical space of small molecules is estimated around 10. To date, the commercially available compounds have accumulated up to 10 millions, and the number is still rising. The in silico. Schematic illustration of lead optimization process. Lead optimization is the complex, iterative proces...
Software | Lephar Research
http://www.lephar.com/software.htm
Computational service and consultancy in drug discovery. Lephar Drug Discovery Platform. Graphic interface of LeDock on the Windows operating system: (Left) Lepro module used to prepare the protein and input file and (Right) LeDock docking interface. High accuracy in pose prediction. User friendly for both virtual screening and hit elaboration. Schematic illustration of automatic fragmentation of a type II kinase inhibitor. LeFrag is designed for in silico. Fragments with high chemical richness. LeWater ...
Download | Lephar Research
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Computational service and consultancy in drug discovery. LeDock: Linux x86 64. LePro: Linux x86 64. LeWater: Linux x86 64. LeFrag: Linux x86 64. To generate a list of docking energy and ligand efficiency from high throughput virtual screening. To cluster compounds by Maximum Common Substructure (MCS) for the analysis of HTS or SAR. Generated from kinase inhibitors accumulated in ChEMBL (Bioorg Med Chem Lett 2015, 25, 2372). Computational service and consultancy in drug discovery.
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Home | Computational Insights into Drug Discovery
Computational Insights into Drug Discovery. Inspiration, Imagination, and Innovation. According to a recent study by the Tufts Center for the Study of Drug Development, the average cost of bringing a new drug on the market is estimated to be $2.6 billion. The soaring cost unfortunately does not translate into an increase in the approval of new chemical entities. The high attrition rate at all stages of drug discovery urges a thorough exploration of chemical space that in principle is infinite. Stay up to...
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