Artificial Intelligence in Drug Design von Hessler, Gerhard, Baringhaus, Karl-Heinz

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Scaffold diversity of natural products: inspiration for combinatorial library design von Grabowski, Kristina, Baringhaus, Karl-Heinz, Schneider, Gisbert

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Identification of Novel HBV/HDV Entry Inhibitors by Pharmacophore- and QSAR-Guided Virtual Screening von Kirstgen, Michael, Mueller, 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

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Hepatitis D Virus Entry Inhibitors Based on Repurposing Intestinal Bile Acid Reabsorption Inhibitors von Kirstgen, Michael, Lowjaga, Kira Alessandra Alicia Theresa, Mueller, Simon Franz, Goldmann, Nora, Lehmann, Felix, Glebe, Dieter, Baringhaus, Karl-Heinz, Geyer, Joachim

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Fractal Dimensions of Macromolecular Structures von Todoroff, Nickolay, Kunze, Jens, Schreuder, Herman, Hessler, Gerhard, Baringhaus, Karl-Heinz, Schneider, Gisbert

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Development of in silico filters to predict activation of the pregnane X receptor (PXR) by structurally diverse drug-like molecules von Matter, Hans, Anger, Lennart T., Giegerich, Clemens, Güssregen, Stefan, Hessler, Gerhard, Baringhaus, Karl-Heinz

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The 2016 Frontiers in Medicinal Chemistry Conference in Bonn von Müller, Christa E., Thimm, Dominik, Baringhaus, Karl‐Heinz

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Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein–Protein Interface von Metz, Alexander, Pfleger, Christopher, Kopitz, Hannes, Pfeiffer-Marek, Stefania, Baringhaus, Karl-Heinz, Gohlke, Holger

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Efficient Approximation of Ligand Rotational and Translational Entropy Changes upon Binding for Use in MM-PBSA Calculations von Ben-Shalom, Ido Y, Pfeiffer-Marek, Stefania, Baringhaus, Karl-Heinz, Gohlke, Holger

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6,8-Difluoro-4-methylumbiliferyl phosphate: a fluorogenic substrate for protein tyrosine phosphatases von Welte, Stefan, Baringhaus, Karl-Heinz, Schmider, Wolfgang, Müller, Günter, Petry, Stefan, Tennagels, Norbert

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Rigidity Theory-Based Approximation of Vibrational Entropy Changes upon Binding to Biomolecules von Gohlke, Holger, Ben-Shalom, Ido Y, Kopitz, Hannes, Pfeiffer-Marek, Stefania, Baringhaus, Karl-Heinz

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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 cotranspor... von Baringhaus, K H, Matter, H, Stengelin, S, Kramer, W

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Targeting Dynamic Pockets of HIV‑1 Protease by Structure-Based Computational Screening for Allosteric Inhibitors von Kunze, Jens, Todoroff, Nickolay, Schneider, Petra, Rodrigues, Tiago, Geppert, Tim, Reisen, Felix, Schreuder, Herman, Saas, Joachim, Hessler, Gerhard, Baringhaus, Karl-Heinz, Schneider, Gisbert

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Identification and Application of Antitarget Activity Hotspots to Guide Compound Optimization von Hessler, Gerhard, Matter, Hans, Schmidt, Friedemann, Giegerich, Clemens, Wang, Li-hsing, Güssregen, Stefan, Baringhaus, Karl-Heinz

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Identification of novel inhibitors of the steroid sulfate carrier ‘sodium-dependent organic anion transporter’ SOAT (SLC10A6) by pharmacophore modelling von Grosser, Gary, Baringhaus, Karl-Heinz, Döring, Barbara, Kramer, Werner, Petzinger, Ernst, Geyer, Joachim

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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 tr... von Kramer, W, Stengelin, S, Baringhaus, K H, Enhsen, A, Heuer, H, Becker, W, Corsiero, D, Girbig, F, Noll, R, Weyland, C

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Erratum: Fractal Dimensions of Macromolecular Structures von Todoroff, Nickolay, Kunze, Jens, Schreuder, Herman, Hessler, Gerhard, Baringhaus, Karl-Heinz, Schneider, Gisbert

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Phototoxicity – from molecular descriptors to classification models von Schmidt, Friedemann, Evers, Andreas, Amberg, Alexander, Hessler, Gerhard, Robles, Catherine, Baringhaus, Karl-Heinz

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The scaffold hopping potential of pharmacophores von Hessler, Gerhard, Baringhaus, Karl-Heinz

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Molecular basis for Kv1.5 channel block: conservation of drug binding sites among voltage-gated K+ channels von Decher, Niels, Pirard, Bernard, Bundis, Florian, Peukert, Stefan, Baringhaus, Karl-Heinz, Busch, Andreas E, Steinmeyer, Klaus, Sanguinetti, Michael C

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