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Bugnon, Marine
5  Ergebnisse:
Personensuche X
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1

SwissDock 2024: major enhancements for small-molecule docki..:

Bugnon, Marine ; Röhrig, Ute F ; Goullieux, Mathilde...
Nucleic Acids Research.  52 (2024)  W1 - p. W324-W332 , 2024
Link: https://doi.org/10.1093/..
 
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2

Attracting Cavities 2.0: Improving the Flexibility and Robu..:

Röhrig, Ute F. ; Goullieux, Mathilde ; Bugnon, Marine.
Journal of Chemical Information and Modeling.  63 (2023)  12 - p. 3925-3940 , 2023
Link: https://doi.org/10.1021/..
 
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3

SwissParam 2023: A Modern Web-Based Tool for Efficient Smal..:

Bugnon, Marine ; Goullieux, Mathilde ; Röhrig, Ute F....
Journal of Chemical Information and Modeling.  63 (2023)  21 - p. 6469-6475 , 2023
Link: https://doi.org/10.1021/..
 
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4

Mol2 files used to test SwissParam 2023:

Bugnon, Marine ; Goullieux, Mathilde ; Röhrig, Ute F...
doi:10.5281/zenodo.8146300.  , 2023
Link: https://zenodo.org/recor..
 
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5

Benchmark Data for Attracting Cavities 2.0 Small-Molecular ..:

Roehrig, Ute F ; Goullieux, Mathilde ; Marine Bugnon.
doi:10.1021/acs.jcim.3c00054.  , 2023
Link: https://zenodo.org/recor..
 
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