Standard
GPCRmd uncovers the dynamics of the 3D-GPCRome. / Rodríguez-Espigares, Ismael; Torrens-Fontanals, Mariona; Tiemann, Johanna K. S.; Aranda-García, David; Ramírez-Anguita, Juan Manuel; Stepniewski, Tomasz Maciej; Worp, Nathalie; Varela-Rial, Alejandro; Morales-Pastor, Adrián; Medel-Lacruz, Brian; Pándy-Szekeres, Gáspár; Mayol, Eduardo; Giorgino, Toni; Carlsson, Jens; Deupi, Xavier; Filipek, Slawomir; Filizola, Marta; Gómez-Tamayo, José Carlos; Gonzalez, Angel; Gutiérrez-de-Terán, Hugo; Jiménez-Rosés, Mireia; Jespers, Willem; Kapla, Jon; Khelashvili, George; Kolb, Peter; Latek, Dorota; Marti-Solano, Maria; Matricon, Pierre; Matsoukas, Minos-Timotheos; Miszta, Przemyslaw; Olivella, Mireia; Perez-Benito, Laura; Provasi, Davide; Ríos, Santiago; Torrecillas, Iván R.; Sallander, Jessica; Sztyler, Agnieszka; Vasile, Silvana; Weinstein, Harel; Zachariae, Ulrich; Hildebrand, Peter W.; De Fabritiis, Gianni; Sanz, Ferran; Gloriam, David E.; Cordomi, Arnau; Guixà-González, Ramon; Selent, Jana.
In:
Nature Methods, Vol. 17, No. 8, 2020, p. 777-787.
Research output: Contribution to journal › Journal article › Research › peer-review
Harvard
Rodríguez-Espigares, I, Torrens-Fontanals, M, Tiemann, JKS, Aranda-García, D, Ramírez-Anguita, JM, Stepniewski, TM, Worp, N, Varela-Rial, A, Morales-Pastor, A, Medel-Lacruz, B
, Pándy-Szekeres, G, Mayol, E, Giorgino, T, Carlsson, J, Deupi, X, Filipek, S, Filizola, M, Gómez-Tamayo, JC, Gonzalez, A, Gutiérrez-de-Terán, H, Jiménez-Rosés, M, Jespers, W, Kapla, J, Khelashvili, G, Kolb, P, Latek, D, Marti-Solano, M, Matricon, P, Matsoukas, M-T, Miszta, P, Olivella, M, Perez-Benito, L, Provasi, D, Ríos, S, Torrecillas, IR, Sallander, J, Sztyler, A, Vasile, S, Weinstein, H, Zachariae, U, Hildebrand, PW, De Fabritiis, G, Sanz, F
, Gloriam, DE, Cordomi, A, Guixà-González, R & Selent, J 2020, '
GPCRmd uncovers the dynamics of the 3D-GPCRome',
Nature Methods, vol. 17, no. 8, pp. 777-787.
https://doi.org/10.1038/s41592-020-0884-yAPA
Rodríguez-Espigares, I., Torrens-Fontanals, M., Tiemann, J. K. S., Aranda-García, D., Ramírez-Anguita, J. M., Stepniewski, T. M., Worp, N., Varela-Rial, A., Morales-Pastor, A., Medel-Lacruz, B.
, Pándy-Szekeres, G., Mayol, E., Giorgino, T., Carlsson, J., Deupi, X., Filipek, S., Filizola, M., Gómez-Tamayo, J. C., Gonzalez, A., ... Selent, J. (2020).
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nature Methods,
17(8), 777-787.
https://doi.org/10.1038/s41592-020-0884-yVancouver
Rodríguez-Espigares I, Torrens-Fontanals M, Tiemann JKS, Aranda-García D, Ramírez-Anguita JM, Stepniewski TM et al.
GPCRmd uncovers the dynamics of the 3D-GPCRome.
Nature Methods. 2020;17(8):777-787.
https://doi.org/10.1038/s41592-020-0884-yAuthor
Rodríguez-Espigares, Ismael ; Torrens-Fontanals, Mariona ; Tiemann, Johanna K. S. ; Aranda-García, David ; Ramírez-Anguita, Juan Manuel ; Stepniewski, Tomasz Maciej ; Worp, Nathalie ; Varela-Rial, Alejandro ; Morales-Pastor, Adrián ; Medel-Lacruz, Brian ; Pándy-Szekeres, Gáspár ; Mayol, Eduardo ; Giorgino, Toni ; Carlsson, Jens ; Deupi, Xavier ; Filipek, Slawomir ; Filizola, Marta ; Gómez-Tamayo, José Carlos ; Gonzalez, Angel ; Gutiérrez-de-Terán, Hugo ; Jiménez-Rosés, Mireia ; Jespers, Willem ; Kapla, Jon ; Khelashvili, George ; Kolb, Peter ; Latek, Dorota ; Marti-Solano, Maria ; Matricon, Pierre ; Matsoukas, Minos-Timotheos ; Miszta, Przemyslaw ; Olivella, Mireia ; Perez-Benito, Laura ; Provasi, Davide ; Ríos, Santiago ; Torrecillas, Iván R. ; Sallander, Jessica ; Sztyler, Agnieszka ; Vasile, Silvana ; Weinstein, Harel ; Zachariae, Ulrich ; Hildebrand, Peter W. ; De Fabritiis, Gianni ; Sanz, Ferran ; Gloriam, David E. ; Cordomi, Arnau ; Guixà-González, Ramon ; Selent, Jana. / GPCRmd uncovers the dynamics of the 3D-GPCRome. In: Nature Methods. 2020 ; Vol. 17, No. 8. pp. 777-787.
Bibtex
@article{8bbaefda79ef4404ac708aeb016e982c,
title = "GPCRmd uncovers the dynamics of the 3D-GPCRome",
abstract = "G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and are the most frequent targets of approved drugs. The explosion in the number of new three-dimensional (3D) molecular structures of GPCRs (3D-GPCRome) over the last decade has greatly advanced the mechanistic understanding and drug design opportunities for this protein family. Molecular dynamics (MD) simulations have become a widely established technique for exploring the conformational landscape of proteins at an atomic level. However, the analysis and visualization of MD simulations require efficient storage resources and specialized software. Here we present GPCRmd (http://gpcrmd.org/), an online platform that incorporates web-based visualization capabilities as well as a comprehensive and user-friendly analysis toolbox that allows scientists from different disciplines to visualize, analyze and share GPCR MD data. GPCRmd originates from a community-driven effort to create an open, interactive and standardized database of GPCR MD simulations.",
author = "Ismael Rodr{\'i}guez-Espigares and Mariona Torrens-Fontanals and Tiemann, {Johanna K. S.} and David Aranda-Garc{\'i}a and Ram{\'i}rez-Anguita, {Juan Manuel} and Stepniewski, {Tomasz Maciej} and Nathalie Worp and Alejandro Varela-Rial and Adri{\'a}n Morales-Pastor and Brian Medel-Lacruz and G{\'a}sp{\'a}r P{\'a}ndy-Szekeres and Eduardo Mayol and Toni Giorgino and Jens Carlsson and Xavier Deupi and Slawomir Filipek and Marta Filizola and G{\'o}mez-Tamayo, {Jos{\'e} Carlos} and Angel Gonzalez and Hugo Guti{\'e}rrez-de-Ter{\'a}n and Mireia Jim{\'e}nez-Ros{\'e}s and Willem Jespers and Jon Kapla and George Khelashvili and Peter Kolb and Dorota Latek and Maria Marti-Solano and Pierre Matricon and Minos-Timotheos Matsoukas and Przemyslaw Miszta and Mireia Olivella and Laura Perez-Benito and Davide Provasi and Santiago R{\'i}os and Torrecillas, {Iv{\'a}n R.} and Jessica Sallander and Agnieszka Sztyler and Silvana Vasile and Harel Weinstein and Ulrich Zachariae and Hildebrand, {Peter W.} and {De Fabritiis}, Gianni and Ferran Sanz and Gloriam, {David E.} and Arnau Cordomi and Ramon Guix{\`a}-Gonz{\'a}lez and Jana Selent",
note = "Correction to: Nature Methods https://doi.org/10.1038/s41592-020-0884-y, published online 13 July 2020.",
year = "2020",
doi = "10.1038/s41592-020-0884-y",
language = "English",
volume = "17",
pages = "777--787",
journal = "Nature Methods",
issn = "1548-7091",
publisher = "nature publishing group",
number = "8",
}
RIS
TY - JOUR
T1 - GPCRmd uncovers the dynamics of the 3D-GPCRome
AU - Rodríguez-Espigares, Ismael
AU - Torrens-Fontanals, Mariona
AU - Tiemann, Johanna K. S.
AU - Aranda-García, David
AU - Ramírez-Anguita, Juan Manuel
AU - Stepniewski, Tomasz Maciej
AU - Worp, Nathalie
AU - Varela-Rial, Alejandro
AU - Morales-Pastor, Adrián
AU - Medel-Lacruz, Brian
AU - Pándy-Szekeres, Gáspár
AU - Mayol, Eduardo
AU - Giorgino, Toni
AU - Carlsson, Jens
AU - Deupi, Xavier
AU - Filipek, Slawomir
AU - Filizola, Marta
AU - Gómez-Tamayo, José Carlos
AU - Gonzalez, Angel
AU - Gutiérrez-de-Terán, Hugo
AU - Jiménez-Rosés, Mireia
AU - Jespers, Willem
AU - Kapla, Jon
AU - Khelashvili, George
AU - Kolb, Peter
AU - Latek, Dorota
AU - Marti-Solano, Maria
AU - Matricon, Pierre
AU - Matsoukas, Minos-Timotheos
AU - Miszta, Przemyslaw
AU - Olivella, Mireia
AU - Perez-Benito, Laura
AU - Provasi, Davide
AU - Ríos, Santiago
AU - Torrecillas, Iván R.
AU - Sallander, Jessica
AU - Sztyler, Agnieszka
AU - Vasile, Silvana
AU - Weinstein, Harel
AU - Zachariae, Ulrich
AU - Hildebrand, Peter W.
AU - De Fabritiis, Gianni
AU - Sanz, Ferran
AU - Gloriam, David E.
AU - Cordomi, Arnau
AU - Guixà-González, Ramon
AU - Selent, Jana
N1 - Correction to: Nature Methods https://doi.org/10.1038/s41592-020-0884-y, published online 13 July 2020.
PY - 2020
Y1 - 2020
N2 - G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and are the most frequent targets of approved drugs. The explosion in the number of new three-dimensional (3D) molecular structures of GPCRs (3D-GPCRome) over the last decade has greatly advanced the mechanistic understanding and drug design opportunities for this protein family. Molecular dynamics (MD) simulations have become a widely established technique for exploring the conformational landscape of proteins at an atomic level. However, the analysis and visualization of MD simulations require efficient storage resources and specialized software. Here we present GPCRmd (http://gpcrmd.org/), an online platform that incorporates web-based visualization capabilities as well as a comprehensive and user-friendly analysis toolbox that allows scientists from different disciplines to visualize, analyze and share GPCR MD data. GPCRmd originates from a community-driven effort to create an open, interactive and standardized database of GPCR MD simulations.
AB - G-protein-coupled receptors (GPCRs) are involved in numerous physiological processes and are the most frequent targets of approved drugs. The explosion in the number of new three-dimensional (3D) molecular structures of GPCRs (3D-GPCRome) over the last decade has greatly advanced the mechanistic understanding and drug design opportunities for this protein family. Molecular dynamics (MD) simulations have become a widely established technique for exploring the conformational landscape of proteins at an atomic level. However, the analysis and visualization of MD simulations require efficient storage resources and specialized software. Here we present GPCRmd (http://gpcrmd.org/), an online platform that incorporates web-based visualization capabilities as well as a comprehensive and user-friendly analysis toolbox that allows scientists from different disciplines to visualize, analyze and share GPCR MD data. GPCRmd originates from a community-driven effort to create an open, interactive and standardized database of GPCR MD simulations.
U2 - 10.1038/s41592-020-0884-y
DO - 10.1038/s41592-020-0884-y
M3 - Journal article
C2 - 32661425
VL - 17
SP - 777
EP - 787
JO - Nature Methods
JF - Nature Methods
SN - 1548-7091
IS - 8
ER -
