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Matthias Rarey

Showing results (71-80 of 155) with videos related to

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Journal of Chemical Information and Modeling|November 1, 2023
Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead StructuresUschi Dolfus, Hans Briem, Torben Gutermuth, et al.
Journal of Chemical Information and Modeling|June 8, 2012
TFD: Torsion Fingerprints as a new measure to compare small molecule conformationsTanja Schulz-Gasch, Christin Schärfer, Wolfgang Guba, et al.
Journal of Chemical Information and Modeling|December 16, 2020
Disconnected Maximum Common Substructures under ConstraintsRobert Schmidt, Florian Krull, Anna Lina Heinzke, et al.
Journal of Chemical Information and Modeling|December 14, 2011
Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFTUta Lessel, Bernd Wellenzohn, J Robert Fischer, et al.
Journal of Chemical Information and Modeling|February 20, 2007
Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformationsPatrick Maass, Tanja Schulz-Gasch, Martin Stahl, et al.
Journal of Computer-Aided Molecular Design|August 22, 2002
Flexible docking under pharmacophore type constraintsSally A Hindle, Matthias Rarey, Christian Buning, et al.
Bioinformatics (Oxford, England)|August 1, 2020
GeoMine: interactive pattern mining of protein-ligand interfaces in the Protein Data BankKonrad Diedrich, Joel Graef, Katrin Schöning-Stierand, et al.
Journal of Chemical Information and Modeling|January 8, 2016
Feasibility of Active Machine Learning for Multiclass Compound ClassificationTobias Lang, Florian Flachsenberg, Ulrike von Luxburg, et al.
Journal of Computer-Aided Molecular Design|July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screeningAngela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling|August 14, 2015
Discriminative Chemical Patterns: Automatic and Interactive DesignStefan Bietz, Karen T Schomburg, Matthias Hilbig, et al.
Pageof 16

Showing results (71-80 of 155) with videos related to

Sort By:
Pageof 16
Journal of Chemical Information and Modeling|November 1, 2023
Full Modification Control over Retrosynthetic Routes for Guided Optimization of Lead StructuresUschi Dolfus, Hans Briem, Torben Gutermuth, et al.
Journal of Chemical Information and Modeling|June 8, 2012
TFD: Torsion Fingerprints as a new measure to compare small molecule conformationsTanja Schulz-Gasch, Christin Schärfer, Wolfgang Guba, et al.
Journal of Chemical Information and Modeling|December 16, 2020
Disconnected Maximum Common Substructures under ConstraintsRobert Schmidt, Florian Krull, Anna Lina Heinzke, et al.
Journal of Chemical Information and Modeling|December 14, 2011
Design of combinatorial libraries for the exploration of virtual hits from fragment space searches with LoFTUta Lessel, Bernd Wellenzohn, J Robert Fischer, et al.
Journal of Chemical Information and Modeling|February 20, 2007
Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformationsPatrick Maass, Tanja Schulz-Gasch, Martin Stahl, et al.
Journal of Computer-Aided Molecular Design|August 22, 2002
Flexible docking under pharmacophore type constraintsSally A Hindle, Matthias Rarey, Christian Buning, et al.
Bioinformatics (Oxford, England)|August 1, 2020
GeoMine: interactive pattern mining of protein-ligand interfaces in the Protein Data BankKonrad Diedrich, Joel Graef, Katrin Schöning-Stierand, et al.
Journal of Chemical Information and Modeling|January 8, 2016
Feasibility of Active Machine Learning for Multiclass Compound ClassificationTobias Lang, Florian Flachsenberg, Ulrike von Luxburg, et al.
Journal of Computer-Aided Molecular Design|July 5, 2014
An integrated approach to knowledge-driven structure-based virtual screeningAngela M Henzler, Sascha Urbaczek, Matthias Hilbig, et al.
Journal of Chemical Information and Modeling|August 14, 2015
Discriminative Chemical Patterns: Automatic and Interactive DesignStefan Bietz, Karen T Schomburg, Matthias Hilbig, et al.
Pageof 16