Articles
Volume 4 Supplement 1
7th German Conference on Chemoinformatics: 25 CIC-Workshop
Meeting abstracts
7th German Conference on Chemoinformatics: 25 CIC-Workshop
Goslar, Germany
6-8 November 2011
Edited by Frank Oellien, Uli Fechner and Thomas Engel
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Introduction
GCC2011 – 25 years of computational chemistry meetings Frank Oellien, Uli Fechner, Thomas Engel Journal of Cheminformatics 2012, 4(Suppl 1):A1 (1 May 2012) |
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Oral presentation
TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories Martin Brehm, Barbara Kirchner Journal of Cheminformatics 2012, 4(Suppl 1):F1 (1 May 2012) |
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Oral presentation
Thorsten Meinl Journal of Cheminformatics 2012, 4(Suppl 1):F2 (1 May 2012) |
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Oral presentation
ParaDockS – an open source framework for molecular docking Martin Pippel, Michael Scharfe, Renè Meier, Wolfgang Sippl Journal of Cheminformatics 2012, 4(Suppl 1):F3 (1 May 2012) |
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Oral presentation
Packaging free software chemistry programs in Debian GNU/Linux: past, present and future Michael Banck Journal of Cheminformatics 2012, 4(Suppl 1):F4 (1 May 2012) |
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Oral presentation
25 years of CIC – achievements and future goals Johann Gasteiger Journal of Cheminformatics 2012, 4(Suppl 1):O1 (1 May 2012) |
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Oral presentation
CADDSuite – a workflow-enabled suite of open-source tools for drug discovery Oliver Kohlbacher Journal of Cheminformatics 2012, 4(Suppl 1):O2 (1 May 2012) |
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Oral presentation
A computational method to facilitate structure-activity relationship transfer Anne Wassermann, Jürgen Bajorath Journal of Cheminformatics 2012, 4(Suppl 1):O3 (1 May 2012) |
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Oral presentation
Aligning chemical structure diagrams with local search Matthias Hilbig, Matthias Rarey Journal of Cheminformatics 2012, 4(Suppl 1):O4 (1 May 2012) |
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Oral presentation
Chemoinformatics in drug development Colin R Groom Journal of Cheminformatics 2012, 4(Suppl 1):O5 (1 May 2012) |
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Oral presentation
Richard L Marchese Robinson, Robert C Glen, John BO Mitchell Journal of Cheminformatics 2012, 4(Suppl 1):O6 (1 May 2012) |
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Oral presentation
Putting the available chemical space to the fingertips of our scientists Jörg Degen, Mark Rogers-Evans, Daniel Stoffler Journal of Cheminformatics 2012, 4(Suppl 1):O7 (1 May 2012) |
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Oral presentation
Johannes AH Schwöbel, Bruno Bienfait, Johann Gasteiger, Thomas Kleinöder, Jörg Marusczyk, Oliver Sacher, Christof H Schwab, Aleksey Tarkhov, Lothar Terfloth, Mark TD Cronin Journal of Cheminformatics 2012, 4(Suppl 1):O8 (1 May 2012) |
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Oral presentation
Jochen Heil, Roland Frach, Stefan M Kast Journal of Cheminformatics 2012, 4(Suppl 1):O9 (1 May 2012) |
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Oral presentation
Integrating logic-based machine learning and virtual screening to discover new drugs Christopher R Reynolds, Michael JE Sternberg Journal of Cheminformatics 2012, 4(Suppl 1):O10 (1 May 2012) |
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Oral presentation
Design of dual ligands using excessive pharmacophore query alignment Daniel Moser, Joanna Wisniewska, Steffen Hahn, Estel la Buscató, Franca-Maria Klingler, Janosch Achenbach, Bettina Hofmann, Dieter Steinhilber, Ewgenij Proschak Journal of Cheminformatics 2012, 4(Suppl 1):O11 (1 May 2012) |
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Oral presentation
Text-based similarity searching for hit- and lead-candidate identification Volker Hähnke Journal of Cheminformatics 2012, 4(Suppl 1):O12 (1 May 2012) |
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Oral presentation
Understanding nanostructure formation from first principles Eva Rauls Journal of Cheminformatics 2012, 4(Suppl 1):O13 (1 May 2012) |
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Oral presentation
Solvent-screening and co-crystal screening for drug development with COSMO-RS A Klamt Journal of Cheminformatics 2012, 4(Suppl 1):O14 (1 May 2012) |
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Oral presentation
Bernd Doser, Marcus A Neumann Journal of Cheminformatics 2012, 4(Suppl 1):O15 (1 May 2012) |
