المؤلفون: Karina van den Broek, Mirco Daniel, Matthias Epple, Jan-Mathis Hein, Hubert Kuhn, Stefan Neumann, Andreas Truszkowski, Achim Zielesny

المصدر: Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-15 (2020)

مصطلحات موضوعية: Molecular simulation, Mesoscopic simulation, Rich-client, Model-view-controller, MVC, Pattern, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: http://link.springer.com/article/10.1186/s13321-020-00432-9; https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/db4575260b6544c58c614c730b1aab32

المؤلفون: Andreas Truszkowski, Matthias Epple, Jan-Mathis Hein, Mirco Daniel, Hubert Kuhn, Karina van den Broek, Stefan Neumann, Achim Zielesny

المصدر: Journal of Cheminformatics
Journal of Cheminformatics, Vol 12, Iss 1, Pp 1-15 (2020)

مصطلحات موضوعية: 0301 basic medicine, Rich-client, Java, Computer science, MFD, Chemie, Mesoscopic simulation, Library and Information Sciences, computer.software_genre, 01 natural sciences, lcsh:Chemistry, 03 medical and health sciences, GUI, Model-view-controller, Physical and Theoretical Chemistry, computer.programming_language, Graphical user interface, Mesoscopic physics, Parsing, lcsh:T58.5-58.64, business.industry, Programming language, lcsh:Information technology, Pattern, Dissipative particle dynamics, PDB parser, DPD, Molecular fragment dynamics, Computer Graphics and Computer-Aided Design, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Kernel (image processing), lcsh:QD1-999, Molecular simulation, Model–view–controller, Analytics, MVC, business, computer, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70890fe7a0eee293d89499081c1e68ad
https://pubmed.ncbi.nlm.nih.gov/33430951

المؤلفون: Matthias Epple, Andreas Truszkowski, Karina van den Broek, Hubert Kuhn, Achim Zielesny

المصدر: Journal of Chemical Information and Modeling. 55:983-997

مصطلحات موضوعية: General Chemical Engineering, Lipid Bilayers, Chemie, Cyclotides, Molecular Dynamics Simulation, Library and Information Sciences, Protein Structure, Secondary, Hemoglobins, Rigidity (electromagnetism), Calmodulin, Computational chemistry, Soft matter, Quantitative Biology::Biomolecules, Mesoscopic physics, Protein Stability, Chemistry, Cell Membrane, Dissipative particle dynamics, General Chemistry, Small molecule, Computer Science Applications, Microsecond, Membrane, Chemical physics, Covalent bond, Dimyristoylphosphatidylcholine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::812a2f0bee59a26180991a43fe1068a7
https://doi.org/10.1021/ci5006096

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

المؤلفون: Andreas, Truszkowski, Mirco, Daniel, Hubert, Kuhn, Stefan, Neumann, Christoph, Steinbeck, Achim, Zielesny, Matthias, Epple

المصدر: Journal of Cheminformatics

مصطلحات موضوعية: Peptide representation, Protein representation, Fragment smiles, Molecular fragment cheminformatics, Methodology, Mesoscopic simulation, fSmiles, Dissipative particle dynamics, Molecular fragmentation, Computer simulation, Molecular fragment dynamics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::2ef371bf184fcd9a0dcb4eb1a8610387
https://pubmed.ncbi.nlm.nih.gov/25383098

المؤلفون: Matthias Epple, Andreas Truszkowski, Hubert Kuhn, Annamaria Fiethen, Achim Zielesny

مصطلحات موضوعية: Mesoscopic physics, Chemistry, Air, Dissipative particle dynamics, Dynamics (mechanics), Chemie, Polyoxyethylene alkyl ether, Water, Molecular Dynamics Simulation, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, Polyethylene Glycols, Biomaterials, Surface-Active Agents, Colloid and Surface Chemistry, Chemical engineering, Fragment (logic), Pulmonary surfactant, Critical micelle concentration, Organic chemistry, Nanoscopic scale

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a281d0ce44ce31a3168134a5395805ef
https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&origin=inward&scp=84884206444

المؤلفون: Achim Zielesny, Kalai Vanii Jayaseelan, Christoph Steinbeck, Stefan Neumann, Egon Willighagen, Andreas Truszkowski

المصدر: Journal of Cheminformatics
Journal of Cheminformatics, Vol 3, Iss 1, p 54 (2011)
Journal of Cheminformatics, 3(1). BioMed Central Ltd

مصطلحات موضوعية: Monolithic application, lcsh:T58.5-58.64, lcsh:Information technology, Process (engineering), business.industry, Computer science, Library and Information Sciences, Computer Graphics and Computer-Aided Design, Data science, Computer Science Applications, lcsh:Chemistry, Structural bioinformatics, Software, Workflow, lcsh:QD1-999, Cheminformatics, Test set, Physical and Theoretical Chemistry, business, Cluster analysis

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cd387f93ca00e013b9653c4d33d9a3d1
https://doi.org/10.1186/1758-2946-3-54

المؤلفون: Stefan Neumann, Egon Willighagen, Achim Zielesny, Christoph Steinbeck, Andreas Truszkowski

المصدر: Journal of Cheminformatics, Vol 3, Iss Suppl 1, p P5 (2011)
Journal of Cheminformatics
Europe PubMed Central

مصطلحات موضوعية: Monolithic application, biology, lcsh:T58.5-58.64, Programming language, Computer science, Drug discovery, lcsh:Information technology, Library and Information Sciences, computer.software_genre, Computer Graphics and Computer-Aided Design, Data science, Computer Science Applications, Business process discovery, lcsh:Chemistry, Open source, Workflow, Code refactoring, lcsh:QD1-999, Cyclin-dependent kinase, Poster Presentation, biology.protein, Physical and Theoretical Chemistry, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e1a2b37fed391b013fbb1fea48bac5f0
https://doaj.org/article/b7c6611e260c4669971079de6f077da6

المؤلفون: Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann, Christoph Steinbeck, Achim Zielesny

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: http://www.jcheminf.com/content/pdf/s13321-014-0045-3.pdf.

وصف الملف: application/pdf

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.696.747; http://www.jcheminf.com/content/pdf/s13321-014-0045-3.pdf

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.696.747
http://www.jcheminf.com/content/pdf/s13321-014-0045-3.pdf

المؤلفون: Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann, Egon L Willighagen, Achim Zielesny

المساهمون: The Pennsylvania State University CiteSeerX Archives

المصدر: ftp://ftp.ncbi.nlm.nih.gov/pub/pmc/2a/1d/J_Cheminform_2011_Dec_13_3_54.tar.gz

وصف الملف: application/zip

Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.271.8179

الاتاحة: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.271.8179

المؤلفون: Andreas Truszkowski, Karina van denBroek, Hubert Kuhn, Achim Zielesny, Matthias Epple

المصدر: Journal of Chemical Information & Modeling; May2015, Vol. 55 Issue 5, p983-997, 15p

المؤلفون: Matthias Epple, Hubert Kuhn, Annamaria Fiethen, Thomas Wiebringhaus, Achim Zielesny, Andreas Truszkowski

المصدر: Journal of Cheminformatics

مصطلحات موضوعية: Mesoscopic physics, Chemistry, Dynamics (mechanics), Dissipative particle dynamics, food and beverages, Nanotechnology, Library and Information Sciences, Molecular mechanics, Computer Graphics and Computer-Aided Design, Computer Science Applications, Pulmonary surfactant, Chemical engineering, Atom, Poster Presentation, Molecule, Physical and Theoretical Chemistry, Nanoscopic scale

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f6e6f16daa5ab6a22dacd0dae1fe1277

المؤلفون: Kalai Vanii Jayaseelan, Christoph Steinbeck, Peter Ertl, Pablo Moreno, Andreas Truszkowski

المصدر: BMC Bioinformatics
BMC Bioinformatics, Vol 13, Iss 1, p 106 (2012)

مصطلحات موضوعية: Similarity (geometry), Computer science, Bioinformatics, lcsh:Computer applications to medicine. Medical informatics, Biochemistry, Ranking (information retrieval), Small Molecule Libraries, chemistry.chemical_compound, Lead (geology), Structural Biology, Molecule, Combinatorial Chemistry Techniques, lcsh:QH301-705.5, Molecular Biology, Virtual screening, Biological Products, Information retrieval, Natural product, Applied Mathematics, Methodology Article, Computational Biology, Small molecule, Computer Science Applications, Open data, chemistry, lcsh:Biology (General), Drug Design, lcsh:R858-859.7, DNA microarray, Software

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bda3f9647045a9423b003d114a12d7f

المؤلفون: Annamaria Fiethen, Matthias Epple, Andreas Truszkowski, Hubert Kuhn, Achim Zielesny

المصدر: Journal of Cheminformatics

مصطلحات موضوعية: chemistry.chemical_classification, Mesoscopic physics, Chemistry, Dissipative particle dynamics, Line notation, Library and Information Sciences, Combinatorial chemistry, Molecular mechanics, Computer Graphics and Computer-Aided Design, Amino acid, Computer Science Applications, Fragment (logic), Cheminformatics, Chemical physics, Poster Presentation, Side chain, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2eb4cfe871a61c076662e253255ad0a