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1
المؤلفون: Rainer Fährrolfes, Kai Sommer, Florian Flachsenberg, Mathias M. von Behren, Therese Inhester, Andrea Volkamer, Agnes Meyder, Thomas Otto, Eva Nittinger, Matthias Hilbig, Stefan Bietz, Florian Lauck, Matthias Rarey, Karen T. Schomburg
المصدر: Journal of Biotechnology. 261:207-214
مصطلحات موضوعية: 0301 basic medicine, Computer science, Druggability, Bioengineering, Bioinformatics, computer.software_genre, Applied Microbiology and Biotechnology, 03 medical and health sciences, Structural bioinformatics, Software, Databases, Protein, Internet, Virtual screening, business.industry, Computational Biology, General Medicine, File format, Visualization, 030104 developmental biology, Cheminformatics, Web service, Software engineering, business, computer, Biotechnology
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2
المؤلفون: Robert Schmidt, Matthias Hilbig, Matthias Rarey, Stefan Bietz, Therese Inhester
المصدر: Journal of Chemical Information and Modeling. 57:148-158
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Time Factors, Protein Conformation, Computer science, General Chemical Engineering, Library and Information Sciences, Ligands, computer.software_genre, Set (abstract data type), 03 medical and health sciences, Data Mining, Structure (mathematical logic), Information retrieval, Proteins, General Chemistry, Computer Science Applications, ComputingMethodologies_PATTERNRECOGNITION, 030104 developmental biology, Index (publishing), Key (cryptography), Design process, Data mining, computer, Algorithms, Protein Binding, Protein ligand
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المؤلفون: Matthias Hilbig, Stefan Bietz, Matthias Rarey, Kai Sommer, Nils-Ole Friedrich, Therese Inhester
المصدر: Journal of Chemical Information and Modeling. 56:1105-1111
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Informatics, Unicon, Theoretical computer science, Computer science, General Chemical Engineering, Molecular Conformation, Library and Information Sciences, computer.software_genre, Small Molecule Libraries, 03 medical and health sciences, Software, Isomerism, computer.programming_language, Structure (mathematical logic), business.industry, Programming language, General Chemistry, File format, Computer Science Applications, Task (computing), 030104 developmental biology, Workflow, Cheminformatics, Protons, Line (text file), business, computer
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المؤلفون: Matthias Rarey, Matthias Hilbig
المصدر: Journal of Chemical Information and Modeling. 55:2071-2078
مصطلحات موضوعية: Molecular Structure, business.industry, Computer science, General Chemical Engineering, Computational Biology, Small Molecule Libraries, General Chemistry, Library and Information Sciences, computer.software_genre, Computer Science Applications, Set (abstract data type), World Wide Web, User-Computer Interface, Workflow, Software, Databases as Topic, Cheminformatics, Scripting language, User interface, business, computer
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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
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6eca78888b7a469db81a26527587b73c
http://hdl.handle.net/10044/1/59365 -
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المؤلفون: Thomas Marek, Tim Harder, Christian Lemmen, Matthias Hilbig, Katrin Stierand, Matthias Rarey
المصدر: Molecular Informatics
مصطلحات موضوعية: Biological data, business.industry, Computer science, Organic Chemistry, Medicinal chemistry, Molecular visualization, computer.software_genre, Query language, Communications, Computer Science Applications, World Wide Web, Identifier, Knowledge base, Structural Biology, Cheminformatics, Drug Discovery, Molecular Medicine, Web service, User interface, business, Chemical space, Semantic Web, computer, OpenPHACTS
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المؤلفون: Stefan Bietz, Karen T. Schomburg, Matthias Rarey, Matthias Hilbig
المصدر: Journal of chemical information and modeling. 55(8)
مصطلحات موضوعية: Models, Molecular, Matching (graph theory), Computer science, General Chemical Engineering, Interactive design, Library and Information Sciences, computer.software_genre, Ligands, Field (computer science), Pattern Recognition, Automated, Discriminative model, Feature (machine learning), Humans, Representation (mathematics), Molecular Structure, Phosphotransferases, General Chemistry, Computer Science Applications, Visualization, Cheminformatics, Cyclooxygenase 2, Drug Design, Cyclooxygenase 1, Data mining, computer, Algorithms, Software, Protein Binding
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المصدر: Zeitschrift für Medizinische Physik. 12:89-96
مصطلحات موضوعية: Gynecology, Physics, medicine.medical_specialty, Radiological and Ultrasound Technology, Biophysics, medicine, Radiology, Nuclear Medicine and imaging
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المؤلفون: Sascha Urbaczek, Angela M. Henzler, Matthias Rarey, Matthias Hilbig
المصدر: Journal of computer-aided molecular design. 28(9)
مصطلحات موضوعية: Virtual screening, Molecular Structure, Computer science, Datasets as Topic, Proteins, Integrated approach, computer.software_genre, Ligands, Computer Science Applications, Molecular Docking Simulation, Structure-Activity Relationship, Protein–ligand docking, Drug Design, Drug Discovery, Binding pattern, Structure based, Computer-Aided Design, Humans, Data mining, Physical and Theoretical Chemistry, Pharmacophore, computer, Simulation, Protein Binding
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المؤلفون: Matthias Rarey, Inken Groth, Sascha Urbaczek, Stefan Heuser, Matthias Hilbig
المصدر: Journal of Cheminformatics
مصطلحات موضوعية: SIMPLE (military communications protocol), Sql database, Computer science, Pipeline (computing), media_common.quotation_subject, Library and Information Sciences, Computer Graphics and Computer-Aided Design, Data science, Computer Science Applications, Task (computing), Interactivity, Workflow, Human–computer interaction, Simplicity, Physical and Theoretical Chemistry, User interface, media_common, Research Article