11th German Conference on Chemoinformatics (GCC 2015) View Full Text


Ontology type: schema:ScholarlyArticle      Open Access: True


Article Info

DATE

2016-04-26

AUTHORS

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 (Hans) 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, Frank M. Boeckler, 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, Fidele Ntie-Kang, Conrad V. Simoben, Lydia L. Lifongo, Fidele Ntie-Kang, 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, Matthias Rarey, Johannes Kirchmair, Eugen Proschak, Julia Weber, Daniel Moser, Lena Kalinowski, Janosch Achenbach, Mark Mackey, Tim Cheeseright, Gerrit Renner, 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, Stefan M. Kast, Qurrat U. Ain, Julian E. Fuchs, Robert M. Owen, Kiyoyuki Omoto, Rubben Torella, David C. Pryde, Robert Glen, Andreas Bender, 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, Andrzej J. Bojarski, Andreas Lange, 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, Johan Ulander, Christian Tyrchan, Wolfgang Klute, Fredrik Bergström, Christian Kramer, Quoc Dat Nguyen, Roland Frach, Patrick Kibies, Steven Strohfeldt, Saraphina Böttcher, Tim Pongratz, Dominik Horinek, Stefan M. Kast, Bernd Rupp, Raed Al-Yamori, Michael Lisurek, Ronald Kühne, Filipe Furtado, Karina van den Broek, Ludger Wessjohann, Miriam Mathea, Knut Baumann, Siti Zuraidah Mohamad-Zobir, Xianjun Fu, Tai-Ping Fan, Andreas Bender, Maximilian A. Kuhn, Christoph A. Sotriffer, Azedine Zoufir, Xitong Li, Lewis Mervin, Ellen Berg, Mark Polokoff, Wolf D. Ihlenfeldt, Wolf D. Ihlenfeldt, Jette Pretzel, Zayan Alhalabi, Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, Neem Shaikh, Prabha Garg, Alexander Kos, Hans-Jürgen Himmler, Achim Sandmann, 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, Stefan Bietz, Karen T. Schomburg, Matthias Hilbig, Matthias Rarey, Christian Jäger, Vivien Wieczorek, Lance M. Westerhoff, Oleg Y. Borbulevych, Hans-Ulrich Demuth, Mirko Buchholz, Denis Schmidt, Thomas Rickmeyer, Timo Krotzky, Peter Kolb, Sumit Mittal, Elsa Sánchez-García, Mauro S. Nogueira, Tiago B. Oliveira, Fernando B. da Costa, Thomas J. Schmidt

ABSTRACT

N/A

PAGES

18

Journal

TITLE

Journal of Cheminformatics

ISSUE

Suppl 1

VOLUME

8

Author Affiliations

  • GDCh-CIC Division Associated Board Member, Beilstein-Institut zur Förderung der Chemischen Wissenschaften, Trakehner Str. 7–9, 60487, Frankfurt, Germany
  • Division Medicinal Chemistry, Amsterdam Institute for Molecules, Medicines and Systems (AIMMS), VU University, Amsterdam, The Netherlands
  • Centre for Bioinformatics, Uni Hamburg, Bundesstr. 43, 20146, Hamburg, Germany
  • Sanofi-Aventis Deutschland GmbH, 65926, Frankfurt am Main, Germany
  • GlaxoSmithKline, SG1 2NY, Stevenage, UK
  • Discngine, 75011, Paris, France
  • Organisch-Chemisches Institut, Westfälische Wilhelms-Universität, Münster, Germany
  • Bundeskriminalamt Wiesbaden, Central Analytics II, 65173, Wiesbaden, Germany
  • Department of Chemistry and Biochemistry, University of California, 93111, Santa Barbara, CA, USA
  • Center for Drug Research, Ludwig-Maximilians University Munich, Munich, Germany
  • Inorganic Chemistry and Center for Nanointegration, University of Duisburg-Essen, Essen, Germany
  • CAM-D Technologies, Essen, Germany
  • Institute for Bioinformatics and Chemoinformatics, Westphalian University of Applied Sciences, Recklinghausen, Germany
  • Leiden University, Leiden, Netherlands
  • Culgi BV, Berlin, Germany
  • Physikalische Chemie III, TU Dortmund, 44227, Dortmund, Germany
  • Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, United Kingdom
  • Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, CB2 1EW, Cambridge, UK
  • Department of Chemistry, Bar-Ilan University, 5290002, Ramat-Gan, Israel
  • Department of Pharmaceutical Chemistry, University of Marburg, Marburg, Germany
  • Computer-Aided Drug Design, Institute of Pharmacy, Freie Universität Berlin, 14195, Berlin, Germany
  • Pharmaceutical and Medicinal Chemistry, Institute of Pharmacy, Freie Universität Berlin, Königin-Luise Straße 2+4, 14195, Berlin, Germany
  • Center for Bioinformatics, University of Hamburg, 20146, Hamburg, Germany
  • Departement of Pharmaceutical Science, Mol. Design, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany
  • Center for Bioinformatics Tuebingen (ZBIT), Eberhard Karls University Tuebingen, Tuebingen, Germany
  • Department of Pharmaceutical and Medicinal Chemistry, Eberhard Karls University Tuebingen, Tuebingen, Germany
  • Mulliken Center for Theoretical Chemistry, University of Bonn, 53115, Bonn, Germany
  • Boehringer Ingelheim Pharma GmbH & Co. KG, Lead Identification and Optimization Support, Birkendorfer Str. 65, 88397, Biberach a.d. Riss, Germany
  • BioMed X Innovation Center, Im Neuenheimer Feld 583, 69120, Heidelberg, Germany
  • Merck KGaA, Merck Serono, Global Computational Chemistry, Frankfurter Str. 250, 64293, Darmstadt, Germany
  • Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstraße 25, 91052, Erlangen, Germany
  • Department of Chemistry and Institute of Structural and Molecular Biology, University College London, WC1E 6BT, London, United Kingdom
  • Centre for Molecular Design, School of Pharmacy and Biomedical Sciences, University of Portsmouth, St Michael’s Building, White Swan Road, PO1 2DT, Portsmouth, United Kingdom
  • Centre d’Etudes et de Recherche sur le Médicament de Normandie, UPRES EA 4258 - FR CNRS 3038 INC3M, Boulevard Becquerel, 14032, CAEN Cedex, France
  • Department of Chemistry and Pharmacy, Computer Chemistry Center, FAU Erlangen-Nürnberg, Naegelsbachstr. 25, 91052, Erlangen, Germany
  • Bioinformatics, Institute for Biochemistry, FAU Erlangen-Nürnberg, Fahrstr. 17, 91054, Erlangen, Germany
  • Central Institute for Scientific Computing (ZISC), FAU-Erlangen-Nürnberg, Martensstr. 5a, 91058, Erlangen, Germany
  • Chemische Biologie, TU Dortmund, 44227, Dortmund, Germany
  • School of Chemistry, University of Southampton, SO17 1BJ, Southampton, UK
  • School of Mechanical Engineering, Imperial College London, SW1 2AZ, London, UK
  • Swiss Federal Institute of Technology (ETH), Institute of Pharmaceutical Sciences, 8093, Zürich, Switzerland
  • Bayer Pharma AG, Global Drug Discovery, 42096, Wuppertal, Germany
  • Institute for Theoretical Chemistry, Ulm University, 89081, Ulm, Germany
  • Helmholtz Institute Ulm, Karlsruhe Institute of Technology, 89081, Ulm, Germany
  • Department of Chemistry, Chemical and Bioactivity Information Centre, University of Buea, Buea, South West Region, Cameroon
  • Institut für Pharmazeutische Wissenschaften, Universität Freiburg, 79104, Freiburg, Germany
  • Institute of Pharmacy, Martin-Luther University Halle-Wittenberg, Halle-Wittenberg, Germany
  • Department of Chemistry, University of Douala, Douala, Littoral Region, Cameroon
  • Institut für Pharmazie, Martin-Luther University of Halle-Wittenberg, 06120, Halle, Germany
  • Chemical and Bioactivity Information Centre, Department of Chemistry, University of Buea, Buea, South West Region, Cameroon
  • Chemical Bioactivity Information Centre, Heather Lea, Bland Hill, Norwood, HG3 1TE, Harrogate, UK
  • Faculty of Science, J. E. Purkinje University in Usti nad Labem, 400 96, Ústí nad Labem, Czech Republic
  • Institute of Physics, Academy of Sciences of the Czech Republic, 182 21, Praha, Czech Republic
  • Moscow Institute of Physics and Technology, Dolgoprudny, 141700, Russia, Russia
  • Kurnakov Institute of General and Inorganic Chemistry, 119071, Moscow, Russia
  • Frumkin Institute of Physical Chemistry and Electrochemistry RAS, 119071, Moscow, Russia
  • University of Hamburg, Center for Bioinformatics, 20146, Hamburg, Germany
  • Institute of Pharmaceutical Chemistry, Goethe University, 60438, Frankfurt, Germany
  • Cresset, Litlington, SG8 0SS, Cambridgeshire, UK
  • Faculty of Chemistry, University of Applied Sciences Niederrhein, 47798, Krefeld, Germany
  • Instrumental Analytical Chemistry, University of Duisburg-Essen, 45141, Essen, Germany
  • Shimadzu Europa GmbH, 47269, Duisburg, Germany
  • CARAT GmbH, 46395, Bocholt, Germany
  • Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany
  • Department of Chemistry, Bioinformatics Research Center, North Carolina State University, 27695, Raleigh, NC, USA
  • Department of Pharmaceutical and Medicinal Chemistry, Faculty of Pharmaceutical Science, University of Nigeria, 410001, Nsukka, Nigeria
  • Department of Pharmaceutics, Faculty of Pharmaceutical Science, University of Nigeria, 410001, Nsukka, Nigeria
  • Certara International, Martin-Kollar-Straße 17, 81829, München, Germany
  • Certara, 63101, St Louis, MO, USA
  • Department of Chemistry and Chemical Biology, TU Dortmund, Dortmund, Germany
  • Department of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Str. 6, 44227, Dortmund, Germany
  • Worldwide Medicinal Chemistry, Pfizer Neusentis, The Portway Building, Granta Park, Cb21 6GS, Great Abington, Cambridge, United Kingdom
  • Department of Biochemistry, University of Chemistry and Technology, Prague, Technická 3, 166 28, Prague 6, Czech Republic
  • Discovery Sciences, AstraZeneca R&D Cambridge, Cambridge Science Park, UK
  • Discovery Sciences, AstraZeneca R&D Alderley Park, Alderley Park, UK
  • Discovery Sciences, AstraZeneca R&D, Boston, MA, USA
  • Chemistry Innovation Centre, AstraZeneca R&D, Mölndal, Sweden
  • Institute of Pharmacology Polish Academy of Sciences, 31-343, Krakow, Poland
  • Faculty of Mathematics and Computer Science Jagiellonian University, 30-348, Krakow, Poland
  • Medway School of Pharmacy, Universities of Kent and Greenwich, ME4 4TB, Kent, UK
  • School of Computing, University of Kent, CT2 7NF, Canterbury, Kent, UK
  • Georg Thieme Verlag KG, 70469, Stuttgart, Germany
  • InfoChem GmbH, 81241, München, Germany
  • Institut für Pharmazie, Freie Universität Berlin, 14195, Berlin, Deutschland
  • Department of Medicinal Chemistry, Institute of Pharmacology Polish Academy of Sciences, 12 Smetna Street, 31-343, Cracow, Poland
  • Departement of Pharmaceutical Science, Medicinal Chemistry, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany
  • Interfaculty Institute of Biochemistry, Eberhard Karls University Tuebingen, Hoppe-Seyler-Str. 4, 72076, Tuebingen, Germany
  • Departement of Pharmaceutical Analysis and Bioanalysis, Eberhard Karls University Tuebingen, Auf der Morgenstelle 8, 72076, Tuebingen, Germany
  • Department of Pharmaceutical Chemistry, Division of Drug Design and Medicinal Chemistry, Pharmacoinformatics Research Group, University of Vienna, Althanstraße 14, 1090, Vienna, Austria
  • CVMD, AstraZeneca, Mölndal, Sweden
  • Discovery Sciences, AstraZeneca, Mölndal, Sweden
  • Institució Catalana de Recerca i Estudis Avançats (ICREA), Barcelona, Spain
  • RIA, AstraZeneca, Mölndal, Sweden
  • AstraZeneca, CVMD iMED, Mölndal, Sweden
  • RIA iMED, Mölndal, Sweden
  • RDI, Mölndal, Sweden
  • F. Hoffmann-La Roche, Pharma Early Research and Development, Basel, Switzerland
  • Institute of Pharmacy, University of Halle, 06120, Halle (Saale), Germany
  • Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93040, Regensburg, Germany
  • Structural Biology, AG Computational Chemistry/Drug Design, Leibniz-Institut für Molekulare Pharmakologie (FMP), 13125, Berlin, Germany
  • Department of Bioorganic Chemistry, Leibniz-Institute of Plant Biochemistry, Weinberg 3, 06120, Halle (Saale), Germany
  • Chemistry Department, Ludwig-Maximilians-Universität München, Butenandtstr. 7, 81377, Munich, Germany
  • Institute of Medicinal and Pharmaceutical Chemistry, Braunschweig University of Technology, Braunschweig, Germany
  • School of Information Management, Shandong University of Traditional Chinese Medicine, 250355, Jinan, China
  • Department of Pharmacology, University of Cambridge, Tennis Court Road, CB2 1PD, Cambridge, United Kingdom
  • Institute of Pharmacy and Food Chemistry, University of Würzburg, 97074, Würzburg, Germany
  • Unilever Centre for Molecular Informatics, Department of Chemistry, Lensfield Road, CB2 1EW, Cambridge, UK
  • BioSeek, Inc., 310 Utah 100, 94080, South San Francisco, CA, USA
  • Xemistry GmbH, 61462, Königstein, Germany
  • Simulations Plus, Inc., 93534, Lancaster, CA, USA
  • Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research (NIPER), Sector-67, S.A.S. Nagar, 160 062, Punjab, India
  • AKos GmbH, Steinen, Germany
  • Schrödinger GmbH, Dynamostr. 13, 68165, Mannheim, Germany
  • Schrödinger Inc., 120 West 45th Street, 17th Floor, 10036, New York, NY, USA
  • Department of Chemistry, Columbia University, 3000 Broadway, 10027, New York, NY, USA
  • Molecular and Cellular Modeling Group, Heidelberg Institute for Theoretical Studies (HITS) gGmbH, Heidelberg, Germany
  • ZMBH-DKFZ Alliance, Center for Molecular Biology, Heidelberg University, Heidelberg, Germany
  • Center for Bioinformatics, University of Hamburg, Hamburg, Germany
  • Fraunhofer Institute for Cell Therapy and Immunology, Department of Drug Design and Target Validation (IZI-MWT), 06120, Halle (Saale), Germany
  • QuantumBio Inc, 2790 West College Avenue, Suite 900, 16801, State College, PA, USA
  • Pharmaceutical Chemistry, Philipps-University, Marburg, Germany
  • The Cambridge Crystallographic Data Centre, Cambridge, UK
  • Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470, Mülheim an der Ruhr, Germany
  • University of São Paulo, Av. do Café S/N, Ribeirão Preto, Brazil
  • Institute of Pharmaceutical Biology and Phytochemistry, University of Muenster, Correnstraße 48, 48149, Muenster, Germany
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1186/s13321-016-0119-5

    DOI

    http://dx.doi.org/10.1186/s13321-016-0119-5

    DIMENSIONS

    https://app.dimensions.ai/details/publication/pub.1037170153

    PUBMED

    https://www.ncbi.nlm.nih.gov/pubmed/29270804


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