Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets von Wenzel, Jan, Matter, Hans, Schmidt, Friedemann

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Targeting DnaN for tuberculosis therapy using novel griselimycins von Kling, Angela, Lukat, Peer, Almeida, Deepak V., Bauer, Armin, Fontaine, Evelyne, Sordello, Sylvie, Zaburannyi, Nestor, Herrmann, Jennifer, Wenzel, Silke C., König, Claudia, Ammerman, Nicole C., Barrio, María Belén, Borchers, Kai, Bordon-Pallier, Florence, Brönstrup, Mark, Courtemanche, Gilles, Gerlitz, Martin, Geslin, Michel, Hammann, Peter, Heinz, Dirk W., Hoffmann, Holger, Klieber, Sylvie, Kohlmann, Markus, Kurz, Michael, Lair, Christine, Matter, Hans, Nuermberger, Eric, Tyagi, Sandeep, Fraisse, Laurent, Grosset, Jacques H., Lagrange, Sophie, Müller, Rolf

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Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods von Sauer, Susanne, Matter, Hans, Hessler, Gerhard, Grebner, Christoph

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Molecular basis for inhibiting human glucose transporters by exofacial inhibitors von Wang, Nan, Zhang, Shuo, Yuan, Yafei, Xu, Hanwen, Defossa, Elisabeth, Matter, Hans, Besenius, Melissa, Derdau, Volker, Dreyer, Matthias, Halland, Nis, He, Kaihui Hu, Petry, Stefan, Podeschwa, Michael, Tennagels, Norbert, Jiang, Xin, Yan, Nieng

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Selecting Optimally Diverse Compounds from Structure Databases:  A Validation Study of Two-Dimensional and Three-Dimensional Molecular Descriptors von Matter, Hans

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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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Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors von Scheiper, Bodo, Matter, Hans, Steinhagen, Henning, Stilz, Ulrich, Böcskei, Zsolt, Fleury, Valérie, McCort, Gary

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Effect of Storage Temperature on Allograft Bone von Fölsch, Christian, Mittelmeier, Wolfram, Bilderbeek, Uwe, Timmesfeld, Nina, von Garrel, Thomas, Matter, Hans Peter

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Artificial Intelligence in Compound Design von Grebner, Christoph, Matter, Hans, Hessler, Gerhard

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Probing the Subpockets of Factor Xa Reveals Two Binding Modes for Inhibitors Based on a 2-Carboxyindole Scaffold:  A Study Combining Structure-Activity Relationship and X-ray Cryst... von Nazaré, Marc, Will, David W, Matter, Hans, Schreuder, Herman, Ritter, Kurt, Urmann, Matthias, Essrich, Melanie, Bauer, Armin, Wagner, Michael, Czech, Jörg, Lorenz, Martin, Laux, Volker, Wehner, Volkmar

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Influence of thermodisinfection and duration of cryopreservation at different temperatures on pull out strength of cancellous bone von Fölsch, Christian, Mittelmeier, Wolfram, von Garrel, Thomas, Bilderbeek, Uwe, Timmesfeld, Nina, Pruss, Axel, Matter, Hans-Peter

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Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning von Sauer, Susanne, Matter, Hans, Hessler, Gerhard, Grebner, Christoph

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Nationwide Surveillance of Nasopharyngeal Streptococcus pneumoniae Isolates from Children with Respiratory Infection, Switzerland, 1998–1999 von Mühlemann, Kathrin, Matter, Hans C, Täuber, Martin G

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Impact of Different Automated Binding Pose Generation Approaches on Relative Binding Free Energy Simulations von Cappel, Daniel, Jerome, Steven, Hessler, Gerhard, Matter, Hans

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Automated De Novo Design in Medicinal Chemistry: Which Types of Chemistry Does a Generative Neural Network Learn? von Grebner, Christoph, Matter, Hans, Plowright, Alleyn T, Hessler, Gerhard

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Interpretation of Structure–Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence von Harren, Tobias, Matter, Hans, Hessler, Gerhard, Rarey, Matthias, Grebner, Christoph

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Characterizing hydration sites in protein-ligand complexes towards the design of novel ligands von Matter, Hans, Güssregen, Stefan

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Affinity and Selectivity of Matrix Metalloproteinase Inhibitors:  A Chemometrical Study from the Perspective of Ligands and Proteins von Matter, Hans, Schwab, Wilfried

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Application of Deep Neural Network Models in Drug Discovery Programs von Grebner, Christoph, Matter, Hans, Kofink, Daniel, Wenzel, Jan, Schmidt, Friedemann, Hessler, Gerhard

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Identification and Characterization of a Single High‐Affinity Fatty Acid Binding Site in Human Serum Albumin von Wenskowsky, Lea, Schreuder, Herman, Derdau, Volker, Matter, Hans, Volkmar, Julia, Nazaré, Marc, Opatz, Till, Petry, Stefan

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