Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways

David Aranda-García, Tomasz Maciej Stepniewski, Mariona Torrens-Fontanals, Adrian García-Recio, Marta Lopez-Balastegui, Brian Medel-Lacruz, Adrián Morales-Pastor, Alejandro Peralta-García, Miguel Dieguez-Eceolaza, David Sotillo-Nuñez, Tianyi Ding, Matthäus Drabek, Célien Jacquemard, Jakub Jakowiecki, Willem Jespers, Mireia Jiménez-Rosés, Víctor Jun-Yu-Lim, Alessandro Nicoli, Urszula Orzel, Aida Shahraki, Johanna K. S. Tiemann, Vicente Ledesma-Martin, Francho Nerín-Fonz, Sergio Suárez-Dou, Oriol Canal, Gáspár Pándy-Szekeres, Jiafei Mao, David E. Gloriam, Esther Kellenberger, Dorota Latek, Ramon Guixà-González, Hugo Gutiérrez-de-Terán, Irina G. Tikhonova, Peter W. Hildebrand, Marta Filizola, M. Madan Babu, Antonella Di Pizio, Slawomir Filipek, Peter Kolb, Arnau Cordomi, Toni Giorgino, Maria Marti-Solano, Jana Selent

Open source

DOI
10.1038/s41467-025-57034-y
Published
2025-02-27
Container
Nature Communications
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1038/s41467-025-57034-y,
  title = {Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways},
  author = {David Aranda-García and Tomasz Maciej Stepniewski and Mariona Torrens-Fontanals and Adrian García-Recio and Marta Lopez-Balastegui and Brian Medel-Lacruz and Adrián Morales-Pastor and Alejandro Peralta-García and Miguel Dieguez-Eceolaza and David Sotillo-Nuñez and Tianyi Ding and Matthäus Drabek and Célien Jacquemard and Jakub Jakowiecki and Willem Jespers and Mireia Jiménez-Rosés and Víctor Jun-Yu-Lim and Alessandro Nicoli and Urszula Orzel and Aida Shahraki and Johanna K. S. Tiemann and Vicente Ledesma-Martin and Francho Nerín-Fonz and Sergio Suárez-Dou and Oriol Canal and Gáspár Pándy-Szekeres and Jiafei Mao and David E. Gloriam and Esther Kellenberger and Dorota Latek and Ramon Guixà-González and Hugo Gutiérrez-de-Terán and Irina G. Tikhonova and Peter W. Hildebrand and Marta Filizola and M. Madan Babu and Antonella Di Pizio and Slawomir Filipek and Peter Kolb and Arnau Cordomi and Toni Giorgino and Maria Marti-Solano and Jana Selent},
  year = {2025},
  journal = {Nature Communications},
  doi = {10.1038/s41467-025-57034-y},
  url = {https://doi.org/10.1038/s41467-025-57034-y}
}

RIS

TY  - JOUR
TI  - Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways
AU  - David Aranda-García
AU  - Tomasz Maciej Stepniewski
AU  - Mariona Torrens-Fontanals
AU  - Adrian García-Recio
AU  - Marta Lopez-Balastegui
AU  - Brian Medel-Lacruz
AU  - Adrián Morales-Pastor
AU  - Alejandro Peralta-García
AU  - Miguel Dieguez-Eceolaza
AU  - David Sotillo-Nuñez
AU  - Tianyi Ding
AU  - Matthäus Drabek
AU  - Célien Jacquemard
AU  - Jakub Jakowiecki
AU  - Willem Jespers
AU  - Mireia Jiménez-Rosés
AU  - Víctor Jun-Yu-Lim
AU  - Alessandro Nicoli
AU  - Urszula Orzel
AU  - Aida Shahraki
AU  - Johanna K. S. Tiemann
AU  - Vicente Ledesma-Martin
AU  - Francho Nerín-Fonz
AU  - Sergio Suárez-Dou
AU  - Oriol Canal
AU  - Gáspár Pándy-Szekeres
AU  - Jiafei Mao
AU  - David E. Gloriam
AU  - Esther Kellenberger
AU  - Dorota Latek
AU  - Ramon Guixà-González
AU  - Hugo Gutiérrez-de-Terán
AU  - Irina G. Tikhonova
AU  - Peter W. Hildebrand
AU  - Marta Filizola
AU  - M. Madan Babu
AU  - Antonella Di Pizio
AU  - Slawomir Filipek
AU  - Peter Kolb
AU  - Arnau Cordomi
AU  - Toni Giorgino
AU  - Maria Marti-Solano
AU  - Jana Selent
PY  - 2025
JO  - Nature Communications
DO  - 10.1038/s41467-025-57034-y
UR  - https://doi.org/10.1038/s41467-025-57034-y
ER  - 

APA

Aranda-García, D., Stepniewski, T. M., Torrens-Fontanals, M., García-Recio, A., Lopez-Balastegui, M., Medel-Lacruz, B., Morales-Pastor, A., Peralta-García, A., Dieguez-Eceolaza, M., Sotillo-Nuñez, D., Ding, T., Drabek, M., Jacquemard, C., Jakowiecki, J., Jespers, W., Jiménez-Rosés, M., Jun-Yu-Lim, V., Nicoli, A., Orzel, U., Shahraki, A., Tiemann, J. K. S., Ledesma-Martin, V., Nerín-Fonz, F., Suárez-Dou, S., Canal, O., Pándy-Szekeres, G., Mao, J., Gloriam, D. E., Kellenberger, E., Latek, D., Guixà-González, R., Gutiérrez-de-Terán, H., Tikhonova, I. G., Hildebrand, P. W., Filizola, M., Babu, M. M., Pizio, A. D., Filipek, S., Kolb, P., Cordomi, A., Giorgino, T., Marti-Solano, M., & Selent, J. (2025). Large scale investigation of GPCR molecular dynamics data uncovers allosteric sites and lateral gateways. Nature Communications. https://doi.org/10.1038/s41467-025-57034-y

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