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Goullieux, Mathilde
11  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

Two-Step Covalent Docking with Attracting Cavities:

Goullieux, Mathilde ; Zoete, Vincent ; Röhrig, Ute F.
Journal of Chemical Information and Modeling.  63 (2023)  24 - p. 7847-7859 , 2023
Link: https://doi.org/10.1021/..
 
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4

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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5

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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6

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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7

Two-Step Covalent Docking with Attracting Cavities:

Goullieux, Mathilde ; Zoete, Vincent ; Röhrig, Ute F
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10751798/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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8

Benchmark Data Set for Two-Step Covalent Docking with Attra..:

Goullieux, Mathilde ; Zoete, Vincent ; Roehrig, Ute F
info:eu-repo/grantAgreement/SNSF/Project funding - Project funding (Div. I-III)/200021_184993/.  , 2023
Link: https://zenodo.org/recor..
 
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9

Benchmark Data Set for Two-Step Covalent Docking with Attra..:

Goullieux, Mathilde ; Zoete, Vincent ; Roehrig, Ute F
info:eu-repo/grantAgreement/SNSF/Project funding - Project funding (Div. I-III)/200021_184993/.  , 2023
Link: https://zenodo.org/recor..
 
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10

Two-Step Covalent Docking with Attracting Cavities:

Mathilde Goullieux ; Vincent Zoete ; Ute F. Röhrig
doi:10.1021/acs.jcim.3c01055.s001.  , 2023
Link: https://doi.org/10.1021/..
 
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11

Material for the intermediate python SIB-training course:

Robin Engler ; Wandrille Duchemin ; Mathilde Goullieux
https://github.com/sib-swiss/intermediate-python-training/tree/2023.06.  , 2023
Link: https://zenodo.org/recor..
 
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