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1
المؤلفون: Gerhard Klebe, Timo Krotzky
المصدر: Molecular Informatics. 34:550-558
مصطلحات موضوعية: Models, Molecular, Binding Sites, Computer science, business.industry, Organic Chemistry, Graph partition, Disjoint sets, Machine learning, computer.software_genre, Graph model, Graph, Computer Science Applications, Structural Biology, Drug Discovery, Molecular Medicine, Artificial intelligence, Scenario testing, Binding site, Databases, Protein, business, Algorithm, computer
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2
المؤلفون: Christian Grunwald, Ute Egerland, Timo Krotzky, Gerhard Klebe
المصدر: Journal of Chemical Information and Modeling. 55:165-179
مصطلحات موضوعية: On the fly, Putative protein, General Chemical Engineering, In silico, Computational biology, Plasma protein binding, Library and Information Sciences, Biology, Ligands, computer.software_genre, Receptors, N-Methyl-D-Aspartate, Adenosine Triphosphate, Histogram, Binding site, Databases, Protein, Binding Sites, Computational Biology, Proteins, Reproducibility of Results, General Chemistry, NAD, Computer Science Applications, Formalism (philosophy of mathematics), ROC Curve, Data mining, computer, Algorithms, Peptide Hydrolases, Protein Binding
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3
المؤلفون: Timo Krotzky, Thomas Fober, Gerhard Klebe, Eyke Hüllermeier
المصدر: IEEE/ACM Transactions on Computational Biology and Bioinformatics. 11:878-890
مصطلحات موضوعية: Models, Molecular, Nearest neighbor search, Structural alignment, Similarity measure, Machine learning, computer.software_genre, Graph model, Histogram, Genetics, Databases, Protein, Mathematics, Binding Sites, business.industry, Applied Mathematics, Graph based, Computational Biology, Proteins, Principal component analysis, Artificial intelligence, business, Surface protein, Algorithm, computer, Algorithms, Protein Binding, Biotechnology
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4
المؤلفون: Uli Fechner, Chris de Graaf, Andrew E. Torda, Stefan Güssregen, Andreas Evers, Hans Matter, Gerhard Hessler, Nicola J. Richmond, Peter Schmidtke, Marwin H. S. Segler, Mark P. Waller, Stefanie Pleik, Joan-Emma Shea, Zachary Levine, Ryan Mullen, Karina van den Broek, Matthias Epple, Hubert Kuhn, Andreas Truszkowski, Achim Zielesny, Johannes Fraaije, Ruben Serral Gracia, Stefan M. Kast, Krishna C. Bulusu, Andreas Bender, Abraham Yosipof, Oren Nahum, Hanoch Senderowitz, Timo Krotzky, Robert Schulz, Gerhard Wolber, Stefan Bietz, Matthias Rarey, Markus O. Zimmermann, Andreas Lange, Manuel Ruff, Johannes Heidrich, Ionut Onlia, Thomas E. Exner, Frank M. Boeckler, Marcel Bermudez, Dzmitry S. Firaha, Oldamur Hollóczki, Barbara Kirchner, Christofer S. Tautermann, Andrea Volkamer, Sameh Eid, Samo Turk, Friedrich Rippmann, Simone Fulle, Noureldin Saleh, Giorgio Saladino, Francesco L. Gervasio, Elke Haensele, Lee Banting, David C. Whitley, Jana Sopkova-de Oliveira Santos, Ronan Bureau, Timothy Clark, Achim Sandmann, Harald Lanig, Patrick Kibies, Jochen Heil, Franziska Hoffgaard, Roland Frach, Julian Engel, Steven Smith, Debjit Basu, Daniel Rauh, Oliver Kohlbacher, Jonathan W. Essex, Michael S. Bodnarchuk, Gregory A. Ross, Arndt R. Finkelmann, Andreas H. Göller, Gisbert Schneider, Tamara Husch, Christoph Schütter, Andrea Balducci, Martin Korth, Fidele Ntie-Kang, Stefan Günther, Wolfgang Sippl, Luc Meva’a Mbaze, Conrad V. Simoben, Lydia L. Lifongo, Philip Judson, Jiří Barilla, Miloš V. Lokajíček, Hana Pisaková, Pavel Simr, Natalia Kireeva, Alexandre Petrov, Denis Ostroumov, Vitaly P. Solovev, Vladislav S. Pervov, Nils-Ole Friedrich, Kai Sommer, Johannes Kirchmair, Eugen Proschak, Julia Weber, Daniel Moser, Lena Kalinowski, Janosch Achenbach, Mark Mackey, Tim Cheeseright, Gerrit Renner, Torsten C. Schmidt, Jürgen Schram, Marion Egelkraut-Holtus, Albert van Oeyen, Tuomo Kalliokoski, Denis Fourches, Akachukwu Ibezim, Chika J. Mbah, Umale M. Adikwu, Ngozi J. Nwodo, Alexander Steudle, Brian B. Masek, Stephan Nagy, David Baker, Fred Soltanshahi, Roman Dorfman, Karen Dubrucq, Hitesh Patel, Oliver Koch, Florian Mrugalla, Qurrat U. Ain, Julian E. Fuchs, Robert M. Owen, Kiyoyuki Omoto, Rubben Torella, David C. Pryde, Robert Glen, Petr Hošek, Vojtěch Spiwok, Lewis H. Mervin, Ian Barrett, Mike Firth, David C. Murray, Lisa McWilliams, Qing Cao, Ola Engkvist, Dawid Warszycki, Marek Śmieja, Andrzej J. Bojarski, Natalia Aniceto, Alex Freitas, Taravat Ghafourian, Guido Herrmann, Valentina Eigner-Pitto, Alexandra Naß, Rafał Kurczab, Marcel B. Günther, Susanne Hennig, Felix M. Büttner, Christoph Schall, Adrian Sievers-Engler, Francesco Ansideri, Pierre Koch, Thilo Stehle, Stefan Laufer, Frank M. Böckler, Barbara Zdrazil, Floriane Montanari, Gerhard F. Ecker, Christoph Grebner, Anders Hogner, Johan Ulander, Karl Edman, Victor Guallar, Christian Tyrchan, Wolfgang Klute, Fredrik Bergström, Christian Kramer, Quoc Dat Nguyen, Steven Strohfeldt, Saraphina Böttcher, Tim Pongratz, Dominik Horinek, Bernd Rupp, Raed Al-Yamori, Michael Lisurek, Ronald Kühne, Filipe Furtado, Ludger Wessjohann, Miriam Mathea, Knut Baumann, Siti Zuraidah Mohamad-Zobir, Xianjun Fu, Tai-Ping Fan, Maximilian A. Kuhn, Christoph A. Sotriffer, Azedine Zoufir, Xitong Li, Lewis Mervin, Ellen Berg, Mark Polokoff, Wolf D. Ihlenfeldt, Jette Pretzel, Zayan Alhalabi, Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, Neem Shaikh, Prabha Garg, Alexander Kos, Hans-Jürgen Himmler, Christophe Jardin, Heinrich Sticht, Thomas B. Steinbrecher, Markus Dahlgren, Daniel Cappel, Teng Lin, Lingle Wang, Goran Krilov, Robert Abel, Richard Friesner, Woody Sherman, Ina A. Pöhner, Joanna Panecka, Rebecca C. Wade, Karen T. Schomburg, Matthias Hilbig, Christian Jäger, Vivien Wieczorek, Lance M. Westerhoff, Oleg Y. Borbulevych, Hans-Ulrich Demuth, Mirko Buchholz, Denis Schmidt, Thomas Rickmeyer, Peter Kolb, Sumit Mittal, Elsa Sánchez-García, Mauro S. Nogueira, Tiago B. Oliveira, Fernando B. da Costa, Thomas J. Schmidt
المصدر: Journal of Cheminformatics
مصطلحات موضوعية: 0303 health sciences, Philosophy, Library and Information Sciences, 16. Peace & justice, Bioinformatics, 01 natural sciences, Computer Graphics and Computer-Aided Design, Meeting Abstracts, language.human_language, 0104 chemical sciences, Computer Science Applications, German, 010404 medicinal & biomolecular chemistry, 03 medical and health sciences, language, Physical and Theoretical Chemistry, Humanities, 030304 developmental biology
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5
المؤلفون: Wibke E. Diederich, Robert Meinecke, Astrid Sitte, Lars Neumann, Valerie Vivat-Hannah, Cédric Atmanene, Helene Köster, Maren Kuhnert, Nedyalka Radeva, Dominique Roecklin, Timo Krotzky, Markus Zeeb, Andreas Heine, Jean‐Paul Renaud, Franziska Popp, Alexander Metz, J. Schiebel, Gerhard Klebe, Nina Schlinck
المصدر: ChemMedChem. 10(9)
مصطلحات موضوعية: Pharmacology, Thermal shift assay, Spectrometry, Mass, Electrospray Ionization, Magnetic Resonance Spectroscopy, Drug discovery, Chemistry, Organic Chemistry, Fragment-based lead discovery, Assay, Biophysics, Small Molecule Libraries, Computational biology, Combinatorial chemistry, Biochemistry, High-Throughput Screening Assays, Fragment (logic), Drug Discovery, Molecular Medicine, Aspartic Acid Endopeptidases, Protease Inhibitors, General Pharmacology, Toxicology and Pharmaceutics, Endothiapepsin
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6
المؤلفون: Thomas Rickmeyer, Gerhard Klebe, Timo Krotzky, Thomas Fober
المصدر: Journal of chemical information and modeling. 54(11)
مصطلحات موضوعية: Models, Molecular, Sequence, Similarity (geometry), Binding Sites, Protein Conformation, General Chemical Engineering, Coenzymes, Proteins, General Chemistry, Function (mathematics), Plasma protein binding, Library and Information Sciences, computer.software_genre, Ligands, Computer Science Applications, Simple (abstract algebra), Drug Discovery, Data mining, Biological system, computer, Mathematics, Protein Binding
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7
المؤلفون: Gerhard Klebe, Timo Krotzky
المصدر: Journal of Cheminformatics
مصطلحات موضوعية: Linear complexity, Computer science, Putative protein, business.industry, Pattern recognition, Plasma protein binding, Library and Information Sciences, computer.software_genre, Computer Graphics and Computer-Aided Design, Computer Science Applications, Molecular recognition, Discriminative model, Histogram, Poster Presentation, Degree of similarity, Data mining, Artificial intelligence, Binding site, Physical and Theoretical Chemistry, business, computer
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8
المؤلفون: Gerhard Klebe, Marco Mernberger, Eyke Hüllermeier, Thomas Fober, Timo Krotzky
المصدر: Journal of Cheminformatics
مصطلحات موضوعية: Theoretical computer science, Molecular recognition, Computer science, Computation, Graph based, Poster Presentation, Library and Information Sciences, Physical and Theoretical Chemistry, Surface protein, Computer Graphics and Computer-Aided Design, Algorithm, Graph, Computer Science Applications