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Matthias Rarey

Showing results (81-90 of 155) with videos related to

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Chemmedchem|September 17, 2008
On the art of compiling and using 'drug-like' chemical fragment spacesJörg Degen, Christof Wegscheid-Gerlach, Andrea Zaliani, et al.
Journal of Chemical Information and Modeling|August 28, 2010
From structure diagrams to visual chemical patternsKaren Schomburg, Hans-Christian Ehrlich, Katrin Stierand, et al.
Journal of Chemical Information and Modeling|December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand PosesFlorian Flachsenberg, Agnes Meyder, Kai Sommer, et al.
Journal of Cheminformatics|August 30, 2013
MONA - Interactive manipulation of molecule collectionsMatthias Hilbig, Sascha Urbaczek, Inken Groth, et al.
Journal of Chemical Information and Modeling|January 28, 2017
Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand InterfacesTherese Inhester, Stefan Bietz, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling|June 9, 2025
SmartChemist─Simplifying Communication About Organic Chemical StructuresTorben Gutermuth, Patrick Penner, Jochen Sieg, et al.
Journal of Chemical Information and Modeling|December 14, 2011
Combining global and local measures for structure-based druggability predictionsAndrea Volkamer, Daniel Kuhn, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling|January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial IntelligenceTobias Harren, Hans Matter, Gerhard Hessler, et al.
Chemmedchem|April 4, 2008
Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring functionIngo Reulecke, Gudrun Lange, Jürgen Albrecht, et al.
Journal of Chemical Information and Modeling|May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection AnalysisEmanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Pageof 16

Showing results (81-90 of 155) with videos related to

Sort By:
Pageof 16
Chemmedchem|September 17, 2008
On the art of compiling and using 'drug-like' chemical fragment spacesJörg Degen, Christof Wegscheid-Gerlach, Andrea Zaliani, et al.
Journal of Chemical Information and Modeling|August 28, 2010
From structure diagrams to visual chemical patternsKaren Schomburg, Hans-Christian Ehrlich, Katrin Stierand, et al.
Journal of Chemical Information and Modeling|December 1, 2020
A Consistent Scheme for Gradient-Based Optimization of Protein<b>-</b>Ligand PosesFlorian Flachsenberg, Agnes Meyder, Kai Sommer, et al.
Journal of Cheminformatics|August 30, 2013
MONA - Interactive manipulation of molecule collectionsMatthias Hilbig, Sascha Urbaczek, Inken Groth, et al.
Journal of Chemical Information and Modeling|January 28, 2017
Index-Based Searching of Interaction Patterns in Large Collections of Protein-Ligand InterfacesTherese Inhester, Stefan Bietz, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling|June 9, 2025
SmartChemist─Simplifying Communication About Organic Chemical StructuresTorben Gutermuth, Patrick Penner, Jochen Sieg, et al.
Journal of Chemical Information and Modeling|December 14, 2011
Combining global and local measures for structure-based druggability predictionsAndrea Volkamer, Daniel Kuhn, Thomas Grombacher, et al.
Journal of Chemical Information and Modeling|January 26, 2022
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial IntelligenceTobias Harren, Hans Matter, Gerhard Hessler, et al.
Chemmedchem|April 4, 2008
Towards an integrated description of hydrogen bonding and dehydration: decreasing false positives in virtual screening with the HYDE scoring functionIngo Reulecke, Gudrun Lange, Jürgen Albrecht, et al.
Journal of Chemical Information and Modeling|May 25, 2019
Comparing Molecular Patterns Using the Example of SMARTS: Applications and Filter Collection AnalysisEmanuel S R Ehmki, Robert Schmidt, Farina Ohm, et al.
Pageof 16