Scaffold diversity of natural products: inspiration for combinatorial library design
Grabowski, Kristina, Baringhaus, Karl-Heinz, Schneider, Gisbert
Published in Natural product reports (01.10.2008)
Published in Natural product reports (01.10.2008)
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Journal Article
Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening
Kirstgen, Michael, Müller, Simon Franz, Lowjaga, Kira Alessandra Alicia Theresa, Goldmann, Nora, Lehmann, Felix, Alakurtti, Sami, Yli-Kauhaluoma, Jari, Baringhaus, Karl-Heinz, Krieg, Reimar, Glebe, Dieter, Geyer, Joachim
Published in Viruses (29.07.2021)
Published in Viruses (29.07.2021)
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Journal Article
Hepatitis D Virus Entry Inhibitors Based on Repurposing Intestinal Bile Acid Reabsorption Inhibitors
Kirstgen, Michael, Lowjaga, Kira Alessandra Alicia Theresa, Müller, Simon Franz, Goldmann, Nora, Lehmann, Felix, Glebe, Dieter, Baringhaus, Karl-Heinz, Geyer, Joachim
Published in Viruses (12.04.2021)
Published in Viruses (12.04.2021)
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Journal Article
Fractal Dimensions of Macromolecular Structures
Todoroff, Nickolay, Kunze, Jens, Schreuder, Herman, Hessler, Gerhard, Baringhaus, Karl-Heinz, Schneider, Gisbert
Published in Molecular informatics (01.09.2014)
Published in Molecular informatics (01.09.2014)
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Journal Article
Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules
Matter, Hans, Anger, Lennart T., Giegerich, Clemens, Güssregen, Stefan, Hessler, Gerhard, Baringhaus, Karl-Heinz
Published in Bioorganic & medicinal chemistry (15.09.2012)
Published in Bioorganic & medicinal chemistry (15.09.2012)
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Journal Article
The 2016 Frontiers in Medicinal Chemistry Conference in Bonn
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Journal Article
Conference Proceeding
Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations
Ben-Shalom, Ido Y, Pfeiffer-Marek, Stefania, Baringhaus, Karl-Heinz, Gohlke, Holger
Published in Journal of chemical information and modeling (27.02.2017)
Published in Journal of chemical information and modeling (27.02.2017)
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Journal Article
Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface
Metz, Alexander, Pfleger, Christopher, Kopitz, Hannes, Pfeiffer-Marek, Stefania, Baringhaus, Karl-Heinz, Gohlke, Holger
Published in Journal of chemical information and modeling (23.01.2012)
Published in Journal of chemical information and modeling (23.01.2012)
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Journal Article
Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization
Hessler, Gerhard, Matter, Hans, Schmidt, Friedemann, Giegerich, Clemens, Wang, Li-hsing, Güssregen, Stefan, Baringhaus, Karl-Heinz
Published in Molecular informatics (01.12.2011)
Published in Molecular informatics (01.12.2011)
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Journal Article
Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. II. A reliable 3D QSAR pharmacophore model for the ileal Na(+)/bile acid cotransporter
Baringhaus, K H, Matter, H, Stengelin, S, Kramer, W
Published in Journal of lipid research (01.12.1999)
Published in Journal of lipid research (01.12.1999)
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Journal Article
Substrate specificity of the ileal and the hepatic Na(+)/bile acid cotransporters of the rabbit. I. Transport studies with membrane vesicles and cell lines expressing the cloned transporters
Kramer, W, Stengelin, S, Baringhaus, K H, Enhsen, A, Heuer, H, Becker, W, Corsiero, D, Girbig, F, Noll, R, Weyland, C
Published in Journal of lipid research (01.09.1999)
Published in Journal of lipid research (01.09.1999)
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Journal Article
Targeting Dynamic Pockets of HIV‑1 Protease by Structure-Based Computational Screening for Allosteric Inhibitors
Kunze, Jens, Todoroff, Nickolay, Schneider, Petra, Rodrigues, Tiago, Geppert, Tim, Reisen, Felix, Schreuder, Herman, Saas, Joachim, Hessler, Gerhard, Baringhaus, Karl-Heinz, Schneider, Gisbert
Published in Journal of chemical information and modeling (24.03.2014)
Published in Journal of chemical information and modeling (24.03.2014)
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Journal Article
Phototoxicity – from molecular descriptors to classification models
Schmidt, Friedemann, Evers, Andreas, Amberg, Alexander, Hessler, Gerhard, Robles, Catherine, Baringhaus, Karl-Heinz
Published in Journal of cheminformatics (19.04.2011)
Published in Journal of cheminformatics (19.04.2011)
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Journal Article
Identification of novel inhibitors of the steroid sulfate carrier ‘sodium-dependent organic anion transporter’ SOAT (SLC10A6) by pharmacophore modelling
Grosser, Gary, Baringhaus, Karl-Heinz, Döring, Barbara, Kramer, Werner, Petzinger, Ernst, Geyer, Joachim
Published in Molecular and cellular endocrinology (15.06.2016)
Published in Molecular and cellular endocrinology (15.06.2016)
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Journal Article
Identification of the Bile Acid-binding Site of the Ileal Lipid-binding Protein by Photoaffinity Labeling, Matrix-assisted Laser Desorption Ionization-Mass Spectrometry, and NMR Structure
Kramer, Werner, Sauber, Klaus, Baringhaus, Karl-Heinz, Kurz, Michael, Stengelin, Siegfried, Lange, Gudrun, Corsiero, Daniel, Girbig, Frank, König, Waltraud, Weyland, Claudia
Published in The Journal of biological chemistry (09.03.2001)
Published in The Journal of biological chemistry (09.03.2001)
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Journal Article
Selective inhibition of hepatic collagen accumulation in experimental liver fibrosis in rats by a new prolyl 4‐hydroxylase inhibitor
Bickel, Martin, Baringhaus, Karl‐Heinz, Gerl, Martin, Günzler, Volkmar, Kanta, Jiri, Schmidts, Ludwig, Stapf, Michael, Tschank, Georg, Weidmann, Klaus, Werner, Ulrich
Published in Hepatology (Baltimore, Md.) (01.08.1998)
Published in Hepatology (Baltimore, Md.) (01.08.1998)
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Journal Article