Výsledky vyhledávání - "Windshügel B"

LEADS-FRAG: A Benchmark Data Set for Assessment of Fragment Docking Performance

Fragment-based drug design is a popular approach in drug discovery, which makes use of computational methods such as molecular docking. To assess fragment placement performance of molecular docking programs, we constructed LEADS-FRAG, a benchmark dat

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______610::95606aff7b5f8227bb43cd0b925aecea
https://publica.fraunhofer.de/handle/publica/269489

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Akademický článek

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Identification and Characterization of Approved Drugs and Drug-Like Compounds as Covalent Escherichia coli ClpP Inhibitors

Autor: Sassetti, E., Durante Cruz, C., Tammela, P., Winterhalter, M., Augustyns, K., Gribbon, P., Windshügel, B.

Publikováno v: International Journal of Molecular Sciences, Vol 20, Iss 11, p 2686 (2019)
International journal of molecular sciences
International Journal of Molecular Sciences
Volume 20
Issue 11

The serine protease Caseinolytic protease subunit P (ClpP) plays an important role for protein homeostasis in bacteria and contributes to various developmental processes, as well as virulence. Therefore, ClpP is considered as a potential drug target

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::45361aa4f1773b55cc089706990b0a04
https://www.mdpi.com/1422-0067/20/11/2686

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Identification of novel agonists by high-throughput screening and molecular modelling of human constitutive androstane receptor isoform 3

Autor: Keminer, O., Windshügel, B., Essmann, F., Lee, S.M.L., Schiergens, T.S., Schwab, M., Burk, O.

Prediction of drug interactions, based on the induction of drug disposition, calls for the identification of chemicals, which activate xenosensing nuclear receptors. Constitutive androstane receptor (CAR) is one of the major human xenosensors; howeve

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______610::74d86b93adedd003829752fdd5b30c88
https://publica.fraunhofer.de/handle/publica/258853

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Electronic laboratory notebooks in a public-private partnership

Autor: Vaas, L.A.I., Witt, G., Windshügel, B., Bosin, A., Serra, G., Bruengger, A., Winterhalter, M., Gribbon, P., Levy-Petelinkar, C.J., Kohler, M.

This report shares the experience during selection, implementation and maintenance phases of an electronic laboratory notebook (ELN) in a public-private partnership project and comments on user's feedback. In particular, we address which time constra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______610::6799dd68b264395599f824b44aeff7c3
https://publica.fraunhofer.de/handle/publica/252120

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LEADS-PEP: A benchmark data set for assessment of peptide docking performance

Autor: Hauser, A.S., Windshügel, B.

With increasing interest in peptide-based therapeutics also the application of computational approaches such as peptide docking has gained more and more attention. In order to assess the suitability of docking programs for peptide placement and to su

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_______610::9bceeecd7f294b78ce0e9a177720b272
https://publica.fraunhofer.de/handle/publica/243144

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