المؤلفون: Alwin Hartman, Milon Mondal, Nedyalka Radeva, Gerhard Klebe, Anna Hirsch

المصدر: International Journal of Molecular Sciences; Volume 16; Issue 8; Pages: 19184-19194

مصطلحات موضوعية: inhibitors, aspartic protease endothiapepsin, structure-based drug design, molecular recognition

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Molecular Recognition; https://dx.doi.org/10.3390/ijms160819184

الاتاحة: https://doi.org/10.3390/ijms160819184

المؤلفون: Eszter E. Najbauer, Gerhard Klebe, Tobias Wulsdorf, Andreas Heine, Nedyalka Radeva, F.R. Ehrmann, Nina Zitzer, Rasmus Linser, Kristof Grohe, Jonathan Cramer, J. Schiebel, Uwe Linne

المصدر: Angewandte Chemie. 129:1934-1940

مصطلحات موضوعية: 0301 basic medicine, 03 medical and health sciences, 030104 developmental biology, General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3d567b75666113c600bdc100fa494789
https://doi.org/10.1002/ange.201609824

المؤلفون: J. Schiebel, Eszter E. Najbauer, Rasmus Linser, F.R. Ehrmann, Andreas Heine, Nina Zitzer, Uwe Linne, Jonathan Cramer, Nedyalka Radeva, Kristof Grohe, Tobias Wulsdorf, Gerhard Klebe

المصدر: Angewandte Chemie International Edition

مصطلحات موضوعية: 0301 basic medicine, Screening techniques, Chemistry, Fragment-based lead discovery, Sordariales, General Chemistry, Computational biology, Ligands, Ligand (biochemistry), Biological effect, Combinatorial chemistry, Catalysis, Molecular Docking Simulation, Small Molecule Libraries, 03 medical and health sciences, 030104 developmental biology, Low affinity, Drug development, Aspartate protease, Heterocyclic Compounds, Drug Design, Aspartic Acid Endopeptidases, Endothiapepsin, Protein Binding

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b068c9454fdba458392d4eb06fb7717
https://doi.org/10.1002/anie.201609824

المؤلفون: J. Schiebel, Johan Winquist, Ah Young Park, Franziska U. Huschmann, Xiaojie Wang, Andreas Heine, F.R. Ehrmann, Michael Betz, Gerhard Klebe, Manfred S. Weiss, Martin Stieler, Uwe Mueller, S.G. Krimmer, Nedyalka Radeva, Thomas Rickmeyer, Alexander Metz, Kan Fu

المصدر: Journal of Medicinal Chemistry. 59:9743-9759

مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Steric effects, Aspartic Acid Proteases, Stereochemistry, Carboxylic Acids, Calorimetry, Pyrazole, Crystallography, X-Ray, 010402 general chemistry, Hydrazide, 01 natural sciences, 03 medical and health sciences, chemistry.chemical_compound, Catalytic Domain, Drug Discovery, Side chain, Molecule, Endothiapepsin, biology, Active site, 0104 chemical sciences, Crystallography, Hydrazines, 030104 developmental biology, chemistry, Functional group, Biocatalysis, biology.protein, Pyrazoles, Molecular Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80620e14b808dfb6043a5c58b4f182f7
https://doi.org/10.1021/acs.jmedchem.6b01195

المؤلفون: Anna Knörlein, Michael Krug, Andreas Heine, Ah Young Park, Karine Röwer, Uwe Mueller, Franziska U. Huschmann, S.G. Krimmer, J. Schiebel, Manfred S. Weiss, F.R. Ehrmann, Kan Fu, Xiaojie Wang, Steffen Glöckner, Gerhard Klebe, Martin Stieler, Nedyalka Radeva

المصدر: Structure. 24:1398-1409

مصطلحات موضوعية: 0301 basic medicine, Computer science, Drug discovery, Pipeline (computing), Datasets as Topic, Water, Small Molecule Libraries, Crystallography, X-Ray, High-Throughput Screening Assays, 03 medical and health sciences, Identification (information), Crystallography, 030104 developmental biology, X-Ray Diffraction, Structural biology, Fragment (logic), Drug development, Structural Biology, Drug Design, Humans, Molecular Biology, Throughput (business)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0fcbc5f8cdb2c09286bebfea9484cf3c
https://doi.org/10.1016/j.str.2016.06.010

المؤلفون: Anna K. H. Hirsch, Hugo Fanlo-Virgós, Sijbren Otto, Milon Mondal, Nedyalka Radeva, Gerhard Klebe

المصدر: Angewandte Chemie. 128:9569-9574

مصطلحات موضوعية: 010405 organic chemistry, General Medicine, 010402 general chemistry, 01 natural sciences, 0104 chemical sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ac496a2b07ba4797860ac13e6ab3c65a
https://doi.org/10.1002/ange.201603074

المؤلفون: Andreas Heine, Nedyalka Radeva, Martin Stieler, Franziska U. Huschmann, Uwe Mueller, Alexander Metz, Xiaojie Wang, S.G. Krimmer, Manfred S. Weiss, F.R. Ehrmann, Kan Fu, J. Schiebel, Gerhard Klebe

المصدر: ACS Chemical Biology. 11:1693-1701

مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Screening techniques, Computer science, Biophysics, Computational biology, Calorimetry, Crystallography, X-Ray, Bioinformatics, 01 natural sciences, Biochemistry, Structure-Activity Relationship, 03 medical and health sciences, Aspartate protease, Fragment (logic), Drug Discovery, Screening method, Aspartic Acid Endopeptidases, Protease Inhibitors, Endothiapepsin, 010405 organic chemistry, Drug discovery, General Medicine, 0104 chemical sciences, 030104 developmental biology, Drug development, Structural biology, Molecular Medicine, Databases, Chemical, Protein Binding

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f029fe85ab783669f16c0db5ea9a296c
https://doi.org/10.1021/acschembio.5b01034

المؤلفون: Nedyalka Radeva, Anna K. H. Hirsch, Alwin M. Hartman, Milon Mondal, Gerhard Klebe

المساهمون: Chemical Biology 2

المصدر: International Journal of Molecular Sciences, 16(8), 19184-94. MDPI AG
International Journal of Molecular Sciences, Vol 16, Iss 8, Pp 19184-19194 (2015)
International Journal of Molecular Sciences
Volume 16
Issue 8
Pages 19184-19194

مصطلحات موضوعية: Models, Molecular, Acylation, DIFFRACTION, Crystallography, X-Ray, lcsh:Chemistry, Aspartate protease, CATALYTIC MECHANISM, Aspartic Acid Endopeptidases, HYDE SCORING FUNCTION, lcsh:QH301-705.5, Spectroscopy, chemistry.chemical_classification, General Medicine, 3. Good health, Computer Science Applications, Molecular Docking Simulation, Biochemistry, DRUG DESIGN, Biology, Article, Catalysis, Inorganic Chemistry, Structure-Activity Relationship, Molecular recognition, Ascomycota, Humans, Structure–activity relationship, Protease Inhibitors, Physical and Theoretical Chemistry, MEDICINAL CHEMISTRY, Endothiapepsin, Molecular Biology, aspartic protease endothiapepsin, PROTEINASES, Organic Chemistry, Hydrazones, Enzyme, Mycoses, chemistry, lcsh:Biology (General), lcsh:QD1-999, DISCOVERY, structure based drug design, X-RAY, Structure based, structure-based drug design, NEUTRON, molecular recognition, INHIBITORS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6cba91e1fad0110c645ce342da6ba73c
https://research.rug.nl/en/publications/03f2b310-785d-49bb-b378-789bc816b706

المؤلفون: Nedyalka Radeva, Ahyoung Park, Gerhard Klebe, Anna K. H. Hirsch, Helene Köster, Milon Mondal, Maria Zervou, Constantinos Potamitis

المصدر: Angewandte Chemie. 126:3324-3328

مصطلحات موضوعية: General Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c5753bd21e487f470e87390c588ddfa8
https://doi.org/10.1002/ange.201309682

المؤلفون: Nedyalka Radeva, Gerhard Klebe, Hugo Fanlo-Virgós, Sijbren Otto, Milon Mondal, Anna K. H. Hirsch

المساهمون: Chemical Biology 2, Synthetic Organic Chemistry

المصدر: Angewandte Chemie-International Edition, 55(32), 9422-9426. WILEY-V C H VERLAG GMBH
Angewandte Chemie (International Ed. in English)

مصطلحات موضوعية: Models, Molecular, Drug, Proteases, media_common.quotation_subject, DIFFRACTION, Crystallography, X-Ray, 010402 general chemistry, 01 natural sciences, Catalysis, Structure-Activity Relationship, Fragment (logic), CATALYTIC MECHANISM, Hydrolase, inhibitors, Dynamic combinatorial chemistry, Aspartic Acid Endopeptidases, Combinatorial Chemistry Techniques, Structure–activity relationship, Protease Inhibitors, Endothiapepsin, BINDING FRAGMENTS, media_common, dynamic combinatorial chemistry, Dose-Response Relationship, Drug, Molecular Structure, IDENTIFICATION, 010405 organic chemistry, Chemistry, Communication, PROTEINASES, General Chemistry, COVALENT CHEMISTRY, Combinatorial chemistry, fragment-based drug design, Communications, NMR, 0104 chemical sciences, X-ray diffraction, Drug Design, DISCOVERY, X-RAY, proteases, NEUTRON

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d1f2045e420d738af9f1fef1b204cc8
https://research.rug.nl/en/publications/700d9f4e-f7f4-4ef1-b289-277ea1e66e39

المؤلفون: J. Schiebel, F.R. Ehrmann, Kan Fu, Gerhard Klebe, Andreas Heine, Manfred S. Weiss, Uwe Mueller, S.G. Krimmer, Alexander Metz, Martin Stieler, Nedyalka Radeva, Franziska U. Huschmann, Xiaojie Wang

المصدر: Journal of medicinal chemistry. 59(16)

مصطلحات موضوعية: 0301 basic medicine, Models, Molecular, biology, Protein family, Chemistry, Active site, A protein, Crystallography, X-Ray, Ligands, Combinatorial chemistry, Catalysis, 03 medical and health sciences, Structure-Activity Relationship, 030104 developmental biology, Aspartate protease, Catalytic Domain, Drug Discovery, biology.protein, Biocatalysis, Molecular Medicine, Aspartic Acid Endopeptidases, Protease Inhibitors, Target protein, Endothiapepsin

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dc695e809df9699ef3a014d904acf9bc
https://pubmed.ncbi.nlm.nih.gov/27463859

المؤلفون: Wibke E. Diederich, Robert Meinecke, Astrid Sitte, Lars Neumann, Valerie Vivat-Hannah, Cédric Atmanene, Helene Köster, Maren Kuhnert, Nedyalka Radeva, Dominique Roecklin, Timo Krotzky, Markus Zeeb, Andreas Heine, Jean‐Paul Renaud, Franziska Popp, Alexander Metz, J. Schiebel, Gerhard Klebe, Nina Schlinck

المصدر: ChemMedChem. 10(9)

مصطلحات موضوعية: Pharmacology, Thermal shift assay, Spectrometry, Mass, Electrospray Ionization, Magnetic Resonance Spectroscopy, Drug discovery, Chemistry, Organic Chemistry, Fragment-based lead discovery, Assay, Biophysics, Small Molecule Libraries, Computational biology, Combinatorial chemistry, Biochemistry, High-Throughput Screening Assays, Fragment (logic), Drug Discovery, Molecular Medicine, Aspartic Acid Endopeptidases, Protease Inhibitors, General Pharmacology, Toxicology and Pharmaceutics, Endothiapepsin

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b957724d456a4db52d08a4423c3c9d3
https://pubmed.ncbi.nlm.nih.gov/26259992

المؤلفون: Helene Köster, Ahyoung Park, Anna K. H. Hirsch, Milon Mondal, Maria Zervou, Constantinos Potamitis, Gerhard Klebe, Nedyalka Radeva

المساهمون: Chemical Biology 2

المصدر: Angewandte Chemie-International Edition, 53(12), 3259-3263. WILEY-V C H VERLAG GMBH

مصطلحات موضوعية: Models, Molecular, Magnetic Resonance Spectroscopy, Stereochemistry, enzyme inhibitors, NUCLEOPHILIC CATALYSIS, Catalysis, Structure-Activity Relationship, Aspartate protease, X-Ray Diffraction, DIFFERENCE NMR-SPECTROSCOPY, Dynamic combinatorial chemistry, Structure–activity relationship, Aspartic Acid Endopeptidases, Combinatorial Chemistry Techniques, HYDE SCORING FUNCTION, LIVING CELLS, Endothiapepsin, dynamic combinatorial chemistry, Molecular Structure, Chemistry, fungi, General Chemistry, Nuclear magnetic resonance spectroscopy, COVALENT CHEMISTRY, Combinatorial chemistry, LIBRARIES, structure-based design, Biological target, DISCOVERY, Drug Design, LIGAND-BINDING, X-RAY, Structure based, STD NMR spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c53ddf86a505959a91d7cb9297aa0b0
https://pubmed.ncbi.nlm.nih.gov/24532096

المؤلفون: Uwe Mueller, J. Schiebel, Michael Steffien, Martin Gerlach, Gerhard Klebe, P.H. Malecki, R. Foerster, Weiss, Piotr Wilk, Michael Hellmig, Nedyalka Radeva, A. Heine, Alexander Metz, J. Linnik, Franziska U. Huschmann, M. Uehlein, Karine Sparta

المصدر: Acta Crystallographica Section A Foundations and Advances. 71:s39-s39

مصطلحات موضوعية: Inorganic Chemistry, Crystallography, Structural Biology, Fragment (computer graphics), Chemistry, General Materials Science, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::29e4a922186619c5d8c94cbc71f5fb1a
https://doi.org/10.1107/s2053273315099386

المؤلفون: Andreas Heine, Johannes Schiebel, Nedyalka Radeva, Alexander Metz, Franziska U. Huschmann, Monika Ühlein, Karine Sparta, Manfred S. Weiss, Uwe Mueller, Gerhard Klebe

المصدر: Acta Crystallographica Section A Foundations and Advances. 71:s262-s262

مصطلحات موضوعية: Inorganic Chemistry, Structural Biology, General Materials Science, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5dca673c3cb6187fe876be540c57cc06
https://doi.org/10.1107/s2053273315095996

المؤلفون: Andreas Heine, J. Schiebel, Monika Ühlein, Gerhard Klebe, Manfred S. Weiss, Nedyalka Radeva, Alexander Metz, Franziska U. Huschmann, Karine Sparta, Uwe Mueller

المصدر: Acta Crystallographica Section A Foundations and Advances. 70:C706-C706

مصطلحات موضوعية: Inorganic Chemistry, Structural Biology, Fragment (computer graphics), Computer science, Stereochemistry, General Materials Science, Physical and Theoretical Chemistry, Condensed Matter Physics, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::09af143f6db8ff55733a0d4f3e0f3241
https://doi.org/10.1107/s2053273314092936