<b>Workshop: KNIME<b>
Hands on: exploring and learning from chemical data with KNIME Analytics PlatformD. Goldmann, Konstanz/DE , G. Landrum, Zürich/CH
<b>Workshop: OpenEye<b>
Orion – a cloud native platform for computer-aided drug design Or Practical drug discovery in the cloudG. Stahl, Köln/DE
<b>Workshop: Chemical Computing Group<b>
Application of Matched Molecular Pairs to Interactive SAR ExplorationB. Sander, Köln/DE
Keynote Speaker
Unveiling Key Ligand-Protein Interactions for Molecular Recognition using High-Level Quantum Mechanical MethodsM. E. Beck, Monheim am Rhein/DE , F. Neese, Mülheim an der Ruhr/DE, G. Bistoni, Mülheim an der Ruhr/DE, J. Negroni, Lyon/FR, Ch. Riplinger, Köln/DE
G. Poda, Toronto/CA , D. Uehling, Toronto/CA, R. Al-awar, Toronto/CA
Keynote Speaker
Those Who Fail to Learn from History are Doomed to Repeat It: The Impact of Informatics in Drug DiscoveryM. K. Holloway, Austin, TX/US
Keynote Speaker
Digitalization in R&DH. Weiss, Ludwigshafen/DE
N. E. R. Zimmermann, Appel/DE
J. George, Louvain-la-Neuve/BE , D. Waroquiers, Louvain-la-Neuve/BE, D. Di Stefano, Louvain-la-Neuve/BE, G.-M. Rignanese, Louvain-la-Neuve/BE, G. Hautier, Louvain-la-Neuve/BE
Keynote Speaker
Cryo-EM and Single Particle AnalysisS. Raunser, Dortmund/DE
C. M. Jäger, Nottingham/GB , C. Suess, Nottingham/GB, F. Martins, Nottingham/GB, S. Gaughan, Nottingham/GB, J. Hirst, Nottingham/GB, A. Croft, Nottingham/GB
A. M. Burow, Merzhausen/DE , J. van de Streek, Merzhausen/DE, M. A. Neumann, Merzhausen/DE
M. Kretzschmar, Braunschweig/DE , K. Baumann, Braunschweig/DE
F. Flachsenberg, Hamburg/DE , M. Rarey, Hamburg/DE
C. Nutschel, Jülich/DE , D. Mulnaes, Düsseldorf/DE, K.-E. Jaeger, Düsseldorf/Jülich/DE, H. Gohlke, Düsseldorf/Jülich/DE
S. Wussow, Magdeburg/DE , C. Jäger, Halle/DE, M. Naumann, Magdeburg/DE, M. Buchholz, Halle/DE
Keynote Speaker
A Study of Fragment Binding Modes. From Experimental Data Analysis to Prediction Using DockingE. Kellenberger, Strasbourg/FR
M. Simonovsky, Champs sur Marne/FR , J. Meyers, London/GB
T. Evangelidis, Prague/CZ , S. M. Eyrilmez, Prague/CZ, C. Köprülüoğlu, Prague/CZ, J. Řezáč, Prague/CZ, K. Tripsianes, Brno/CZ, P. Hobza, Prague/CZ
A. Schultz, Braunschweig/DE , K. Baumann, Braunschweig/DE
M. Oliveira, Zürich/CH , P. H. Hünenberger, Zurich/CH
J. B. Jasper, Dortmund/DE , Y. Alber, Dortmund/DE, S. Güssregen, Frankfurt/DE, H. Matter, Frankfurt/DE, S. M. Kast, Dortmund/DE
R. Winter, Berlin/DE , M. Floriane, Berlin/DE, A. Steffen, Berlin/DE, H. Briem, Berlin/DE, F. Noé, Berlin/DE, D. Clevert, Berlin/DE
Keynote Speaker
Taking Uncertainties Seriously: Molecular Design with Probabilistic Deep LearningA. Lee, Cambridge/GB
P. C. Rathi, Cambridge/GB , R. F Ludlow, Cambridge/GB, M. L. Verdonk, Cambridge/GB
R. Mercado, Gothenburg/SE
P. Czodrowski, Dortmund/DE , W. G. Bolick, Darmstadt/DE, C. Chung Lam, Darmstadt/DE, F. Steinmetz, Darmstadt/DE, M. Baltruschat, Darmstadt/DE, F. Rippmann, Darmstadt/DE
Keynote Speaker
Chemotion Repository: an Open Source Instrument to Open Access Data in ChemistryN. Jung, Eggenstein-Leopoldshafen/DE , P. Tremouilhac, Eggenstein-Leopoldshafen/DE, Y. C. Huang, Eggenstein-Leopoldshafen/DE, A. C. T. Nguyen, Eggenstein-Leopoldshafen/DE, S. Bräse, Eggenstein-Leopoldshafen/DE
J. M. Cole, Cambridge/GB
M. Fischer, Frankfurt/DE , F. van den Broek, Amsterdam/NL, G. Blanke, Essen/DE, J. Tomczak, Cambridge/GB
Keynote Speaker
Looking to the Future of Drug Discovery: Integrating Free Energy Calculations, Machine Learning, and Autonomous Discovery to Drive Molecular DesignJ. D. Chodera, New York/US
A. Thakkar, Gothenburg/SE , E. J. Bjerrum, Gothenburg/SE, J. L. Reymond, Bern/CH, O. Engkvist, Gothenburg/SE
G. Ghiandoni, Sheffield/GB , B. Chen, Sheffield/GB, D. Hristozov, Abingdon/GB, M. J. Bodkin, Abingdon/GB, V. J. Gillet, Sheffield/GB