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Journal Article
JOURNAL OF CHEMICAL INFORMATION AND MODELING, ISSN 1549-9596, 06/2019, Volume 59, Issue 6, pp. 2818 - 2829
Journal Article
Journal Article
PLOS ONE, ISSN 1932-6203, 06/2019, Volume 14, Issue 6, p. e0218820
In this study, we report a ligand-guided homology modeling approach allowing the analysis of relevant binding site residue conformations and the identification... 
PROTEIN STRUCTURES | COMPLEX | POTENT | SEARCH | MULTIDISCIPLINARY SCIENCES | ANTAGONISTS | BINDING | DISCOVERY | STRATEGIES | AMIDES | Medicine, Experimental | Medical research | Lead compounds | Research | Surveys | Histamine | Obesity | Homology | Histamine H3 receptors | Proteins | Receptors | Chemistry | Pharmacy | Ligands | Modelling | Three dimensional models | Binding sites | Pharmaceutical sciences | Crystal structure
Journal Article
by Fechner, Uli and de Graaf, Chris and Torda, Andrew E and Güssregen, Stefan and Evers, Andreas and Matter, Hans and Hessler, Gerhard and Richmond, Nicola J and Schmidtke, Peter and Segler, Marwin H. S and Waller, Mark P and Pleik, Stefanie and Shea, Joan-Emma and Levine, Zachary and Mullen, Ryan and van den Broek, Karina and van den Broek, Karina and Epple, Matthias and Kuhn, Hubert and Truszkowski, Andreas and Zielesny, Achim and Fraaije, Johannes (Hans) and Gracia, Ruben Serral and Kast, Stefan M and Bulusu, Krishna C and Bender, Andreas and Yosipof, Abraham and Nahum, Oren and Senderowitz, Hanoch and Krotzky, Timo and Schulz, Robert and Wolber, Gerhard and Bietz, Stefan and Rarey, Matthias and Rarey, Matthias and Zimmermann, Markus O and Lange, Andreas and Ruff, Manuel and Heidrich, Johannes and Onlia, Ionut and Exner, Thomas E and Boeckler, Frank M and Boeckler, Frank M and Bermudez, Marcel and Firaha, Dzmitry S and Hollóczki, Oldamur and Kirchner, Barbara and Tautermann, Christofer S and Volkamer, Andrea and Eid, Sameh and Turk, Samo and Rippmann, Friedrich and Fulle, Simone and Saleh, Noureldin and Saladino, Giorgio and Gervasio, Francesco L and Haensele, Elke and Banting, Lee and Whitley, David C and Oliveira Santos, Jana Sopkova-de and Bureau, Ronan and Clark, Timothy and Sandmann, Achim and Lanig, Harald and Kibies, Patrick and Heil, Jochen and Hoffgaard, Franziska and Frach, Roland and Engel, Julian and Smith, Steven and Basu, Debjit and Rauh, Daniel and Kohlbacher, Oliver and Essex, Jonathan W and Bodnarchuk, Michael S and Ross, Gregory A and Finkelmann, Arndt R and Göller, Andreas H and Schneider, Gisbert and Husch, Tamara and Schütter, Christoph and Balducci, Andrea and Korth, Martin and Ntie-Kang, Fidele and Ntie-Kang, Fidele and Ntie-Kang, Fidele and Günther, Stefan and Sippl, Wolfgang and Mbaze, Luc Meva’a and Simoben, Conrad V and Lifongo, Lydia L and Judson, Philip and Barilla, Jiří and Lokajíček, Miloš V and Pisaková, Hana and Simr, Pavel and Kireeva, Natalia and Petrov, Alexandre and Ostroumov, Denis and Solovev, Vitaly P and ...
Journal of Cheminformatics, ISSN 1758-2946, 4/2016, Volume 8, Issue S1, pp. 1 - 27
Journal Article
Drug Discovery Today, ISSN 1359-6446, 2008, Volume 13, Issue 1, pp. 23 - 29
Three-dimensional (3D) pharmacophore modeling is a technique for describing the interaction of a small molecule ligand with a macromolecular target. Since... 
PHARMACOLOGY & PHARMACY | ALIGNMENT | IDENTIFICATION | SEARCH | ALGORITHM | OVERLAY | Algorithms | Hydrogen Bonding | Molecular Conformation | Drug Design | Models, Molecular | Ligands | Structure-Activity Relationship | Computer-Aided Design
Journal Article
Journal Article
Drug Discovery Today: Technologies, ISSN 1740-6749, 2010, Volume 7, Issue 4, pp. e203 - e204
Journal Article
Nature Communications, ISSN 2041-1723, 09/2016, Volume 7, Issue 1, p. 12761
Small-molecule fragments binding to biomacromolecules can be starting points for the development of drugs, but are often difficult to detect due to low... 
ANTIVIRAL AGENTS | TARGET | LIGAND DOCKING | STRUCTURAL BASIS | CLICK CHEMISTRY | E-64 | MULTIDISCIPLINARY SCIENCES | DRUG DISCOVERY | ENTEROVIRUS 71 | DYNAMIC COMBINATORIAL CHEMISTRY | IN-SITU
Journal Article