Matthias Rarey

Name: dblp XML data dump
Creator: Schloss Dagstuhl - Leibniz Center for Informatics
Published: 1993
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: dblp, XML, computer science, scholarly publications, metadata

◀ ▶ joint publications with Marcus Gastreich

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Publications

2022
[j110]
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  - journals/jcamd/PennerMBFGTMR22
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  - https://dblp.org/rec/journals/jcamd/PennerMBFGTMR22
Patrick Penner, Virginie Y. Martiny, Louis Bellmann, Florian Flachsenberg, Marcus Gastreich, Isabelle Theret, Christophe Meyer, Matthias Rarey:
FastGrow: on-the-fly growing and its application to DYRK1A. J. Comput. Aided Mol. Des. 36(9): 639-651 (2022)
[j108]
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  - journals/jcisd/BellmannPGR22
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Louis Bellmann, Patrick Penner, Marcus Gastreich, Matthias Rarey:
Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs. J. Chem. Inf. Model. 62(3): 553-566 (2022)
2020
[j93]
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  - journals/jcisd/PennerMGGDBR20
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Patrick Penner, Virginie Y. Martiny, Arnaud Gohier, Marcus Gastreich, Pierre Ducrot, David Brown, Matthias Rarey:
Shape-Based Descriptors for Efficient Structure-Based Fragment Growing. J. Chem. Inf. Model. 60(12): 6269-6281 (2020)
2012
[j42]
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  - journals/jcamd/SchneiderHLKABBCGLR12
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Nadine Schneider, Sally A. Hindle, Gudrun Lange, Robert Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey:
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. J. Comput. Aided Mol. Des. 26(6): 701-723 (2012)
2004
[j7]
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  - journals/jcisd/FrickerGR04
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Patrick C. Fricker, Marcus Gastreich, Matthias Rarey:
Automated Drawing of Structural Molecular Formulas under Constraints. J. Chem. Inf. Model. 44(3): 1065-1078 (2004)

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