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
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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The 2016 Frontiers in Medicinal Chemistry Conference in Bonn
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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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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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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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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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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 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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Molecular basis for Kv1.5 channel block: conservation of drug binding sites among voltage-gated K+ channels
Decher, Niels, Pirard, Bernard, Bundis, Florian, Peukert, Stefan, Baringhaus, Karl-Heinz, Busch, Andreas E, Steinmeyer, Klaus, Sanguinetti, Michael C
Published in The Journal of biological chemistry (02.01.2004)
Published in The Journal of biological chemistry (02.01.2004)
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Journal Article
Current aspects and future trends of computer-aided rescaffolding
Baringhaus, Karl-Heinz, Hessler, Gerhard, Klabunde, Thomas
Published in Journal of cheminformatics (04.05.2010)
Published in Journal of cheminformatics (04.05.2010)
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Journal Article
The design and synthesis of a scaffold for combinatorial chemistry based on bile acid
Wess, G, Bock, K, Kleine, H, Kurz, M, Guba, W, Hemmerle, H, LopezCalle, E, Baringhaus, KH, Glombik, H, Enhsen, A, Kramer, W
Published in Angewandte Chemie International Edition (18.10.1996)
Published in Angewandte Chemie International Edition (18.10.1996)
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Journal Article
Bioisosteric Replacement of Molecular Scaffolds: From Natural Products to Synthetic Compounds
Grabowski, Kristina, Proschak, Ewgenij, Baringhaus, Karl-Heinz, Rau, Oliver, Schubert-Zsilavecz, Manfred, Schneider, Gisbert
Published in Natural product communications (01.08.2008)
Published in Natural product communications (01.08.2008)
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Journal Article
Molecular Basis for Kv1.5 Channel Block
Decher, Niels, Pirard, Bernard, Bundis, Florian, Peukert, Stefan, Baringhaus, Karl-Heinz, Busch, Andreas E., Steinmeyer, Klaus, Sanguinetti, Michael C.
Published in The Journal of biological chemistry (02.01.2004)
Published in The Journal of biological chemistry (02.01.2004)
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Journal Article
Specific Inhibitors of Ileal Bile Acid Transport
Wess, Guenther, Kramer, Werner, Enhsen, Alfons, Glombik, Heiner, Baringhaus, Karl-Heinz, Boeger, Georg, Urmann, Matthias, Bock, Klaus, Kleine, Horst
Published in Journal of medicinal chemistry (01.04.1994)
Published in Journal of medicinal chemistry (01.04.1994)
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