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Irea Mosquera-Lois

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2024
[j4]
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  - journals/jossw/KavanaghSNMGZBWS24
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  - https://dblp.org/rec/journals/jossw/KavanaghSNMGZBWS24
Seán R. Kavanagh, Alexander G. Squires, Adair Nicolson, Irea Mosquera-Lois, Alex M. Ganose, Bonan Zhu, Katarina Brlec, Aron Walsh, David O. Scanlon:
doped: Python toolkit for robust and repeatable charged defect supercell calculations. J. Open Source Softw. 9(96): 6433 (2024)
2022
[j3]
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  - journals/jcheminf/Ferro-CostasMF22
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David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos:
Correction to: TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids. J. Cheminformatics 14(1): 13 (2022)
[j2]
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Irea Mosquera-Lois, Seán R. Kavanagh, Aron Walsh, David O. Scanlon:
ShakeNBreak: Navigating the defect configurational landscape. J. Open Source Softw. 7(80): 4817 (2022)
2021
[j1]
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David Ferro-Costas, Irea Mosquera-Lois, Antonio Fernández-Ramos:
TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids. J. Cheminformatics 13(1): 100 (2021)

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