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Claudio N. Cavasotto
66
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1
How good are AlphaFold models for docking-based virtual scr..:
Scardino, Valeria
;
Di Filippo, Juan I.
;
Cavasotto, Claudio N.
iScience. 26 (2023) 1 - p. 105920 , 2023
Link:
https://doi.org/10.1016/..
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2
The Impact of Supervised Learning Methods in Ultralarge Hig..:
Cavasotto, Claudio N.
;
Di Filippo, Juan I.
Journal of Chemical Information and Modeling. 63 (2023) 8 - p. 2267-2280 , 2023
Link:
https://doi.org/10.1021/..
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3
Insights into the product release mechanism of dengue virus..:
Adler, Natalia S
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Cababie, Leila A
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Sarto, Carolina
...
Nucleic Acids Research. 50 (2022) 12 - p. 6968-6979 , 2022
Link:
https://doi.org/10.1093/..
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4
Solvent effects on the NMR shieldings of stacked DNA base p..:
Martínez, Fernando A.
;
Adler, Natalia S.
;
Cavasotto, Claudio N.
.
Physical Chemistry Chemical Physics. 24 (2022) 30 - p. 18150-18160 , 2022
Link:
https://doi.org/10.1039/..
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5
Editorial: Development of COVID-19 therapies: Lessons learn..:
Villoutreix, Bruno O.
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Cavasotto, Claudio N.
;
Fernandez-Recio, Juan
Frontiers in Drug Discovery. 2 (2022) - p. , 2022
Link:
https://doi.org/10.3389/..
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6
Machine Learning Toxicity Prediction: Latest Advances by To..:
Cavasotto, Claudio N.
;
Scardino, Valeria
ACS Omega. 7 (2022) 51 - p. 47536-47546 , 2022
Link:
https://doi.org/10.1021/..
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7
A Machine Learning Model to Predict Drug Transfer Across th..:
Di Filippo, Juan I.
;
Bollini, Mariela
;
Cavasotto, Claudio N.
Frontiers in Chemistry. 9 (2021) - p. , 2021
Link:
https://doi.org/10.3389/..
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8
Evaluation of Silicone Fluids and Resins as CO2 Thickeners ..:
Gallo, Gonzalo
;
Erdmann, Eleonora
;
Cavasotto, Claudio N.
ACS Omega. 6 (2021) 38 - p. 24803-24813 , 2021
Link:
https://doi.org/10.1021/..
?
9
Artificial intelligence in the early stages of drug discove..:
Cavasotto, Claudio N.
;
Di Filippo, Juan I.
Archives of Biochemistry and Biophysics. 698 (2021) - p. 108730 , 2021
Link:
https://doi.org/10.1016/..
?
10
Combination of pose and rank consensus in docking-based vir..:
Scardino, Valeria
;
Bollini, Mariela
;
Cavasotto, Claudio N.
RSC Advances. 11 (2021) 56 - p. 35383-35391 , 2021
Link:
https://doi.org/10.1039/..
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11
Functional and druggability analysis of the SARS-CoV-2 prot..:
Cavasotto, Claudio N.
;
Lamas, Maximiliano Sánchez
;
Maggini, Julián
European Journal of Pharmacology. 890 (2021) - p. 173705 , 2021
Link:
https://doi.org/10.1016/..
?
12
High-Throughput Docking Using Quantum Mechanical Scoring:
Cavasotto, Claudio N.
;
Aucar, M. Gabriela
Frontiers in Chemistry. 8 (2020) - p. , 2020
Link:
https://doi.org/10.3389/..
?
13
In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV..:
Cavasotto, Claudio N.
;
Di Filippo, Juan I.
Molecular Informatics. 40 (2020) 1 - p. , 2020
Link:
https://doi.org/10.1002/..
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14
Flexi-pharma: a molecule-ranking strategy for virtual scree..:
Lans, Isaias
;
Palacio-Rodríguez, Karen
;
Cavasotto, Claudio N.
.
Journal of Computer-Aided Molecular Design. 34 (2020) 10 - p. 1063-1077 , 2020
Link:
https://doi.org/10.1007/..
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15
De novo design approaches targeting an envelope protein poc..:
Leal, Emilse S.
;
Adler, Natalia S.
;
Fernández, Gabriela A.
...
European Journal of Medicinal Chemistry. 182 (2019) - p. 111628 , 2019
Link:
https://doi.org/10.1016/..
1-15