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The need to implement FAIR principles in biomolecular simulations

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dc.contributor.authorAmaro, Rommie E.
dc.contributor.authorÅqvist, Johan
dc.contributor.authorBahar, Ivet
dc.contributor.authorBattistini, Federica
dc.contributor.authorBellaïche, Adam
dc.contributor.authorBeltran, Daniel
dc.contributor.authorBiggin, Philip C.
dc.contributor.authorBonomi, Massimiliano
dc.contributor.authorBowman, Gregory R.
dc.contributor.authorBryce, Richard A.
dc.contributor.authorBussi, Giovanni
dc.contributor.authorCarloni, Paolo
dc.contributor.authorCase, David A.
dc.contributor.authorCavalli, Andrea
dc.contributor.authorChang, Chia-En A.
dc.contributor.authorCheatham, Thomas E.
dc.contributor.authorCheung, Margaret S.
dc.contributor.authorChipot, Christophe
dc.contributor.authorChong, Lillian T.
dc.contributor.authorChoudhary, Preeti
dc.contributor.authorCisneros, G. Andrés
dc.contributor.authorClementi, Cecilia
dc.contributor.authorCollepardo Guevara, Rosana
dc.contributor.authorCoveney, Peter
dc.contributor.authorCovino, Roberto
dc.contributor.authorCrawford, T. Daniel
dc.contributor.authorDelemotte, Lucie
dc.contributor.authorEssex, Jonathan W.
dc.contributor.authorFraternali, Franca
dc.contributor.authorGao, Jiali
dc.contributor.authorGelpí, Josep Lluís
dc.contributor.authorGervasio, Francesco Luigi
dc.contributor.authorGonzález Nilo, Fernando Danilo
dc.contributor.authorGroot, Bert L. de
dc.contributor.authorGrubmüller, Helmut
dc.contributor.authorGuenza, Marina G.
dc.contributor.authorGuzman, Horacio V.
dc.contributor.authorHarris, Sarah
dc.contributor.authorHead Gordon, Teresa
dc.contributor.authorHernandez, Rigoberto
dc.contributor.authorHospital, Adam
dc.contributor.authorHuang, Niu
dc.contributor.authorHuang, Xuhui
dc.contributor.authorHummer, Gerhard
dc.contributor.authorIglesias Fernández, Javier
dc.contributor.authorJensen, Jan H.
dc.contributor.authorJha, Shantenu
dc.contributor.authorJiao, Wanting
dc.contributor.authorJorgensen, William L.
dc.contributor.authorKamerlin, Shina Caroline Lynn
dc.contributor.authorKhalid, Syma
dc.contributor.authorLaughton, Charles A.
dc.contributor.authorLevitt, Michael
dc.contributor.authorLimongelli, Vittorio
dc.contributor.authorLindahl, Erik
dc.contributor.authorLindorff-Larsen, Kresten
dc.contributor.authorLoverde, Sharon
dc.contributor.authorLundborg, Magnus
dc.contributor.authorLuo, Yun Lyna
dc.contributor.authorLuque Garriga, F. Xavier
dc.contributor.authorLynch, Charlotte I.
dc.contributor.authorMacKerell, Alexander
dc.contributor.authorMagistrato, Alessandra
dc.contributor.authorMarrink, Siewert J.
dc.contributor.authorMartin, Hugh
dc.contributor.authorMcCammon, J. Andrew
dc.contributor.authorMerz, Kenneth
dc.contributor.authorMoliner, Vicent
dc.contributor.authorMulholland, Adrian J.
dc.contributor.authorMurad, Sohail
dc.contributor.authorNaganathan, Athi N.
dc.contributor.authorNangia, Shikha
dc.contributor.authorNoe, Frank
dc.contributor.authorNoy Freixa, Agnès
dc.contributor.authorOlah, Julianna
dc.contributor.authorO’Mara, Megan L.
dc.contributor.authorOndrechen, Mary Jo
dc.contributor.authorOnuchic, Jose N.
dc.contributor.authorOnufriev, Alexey
dc.contributor.authorOrozco López, Modesto
dc.contributor.authorOsuna, Sílvia
dc.contributor.authorPalermo, Giulia
dc.contributor.authorPanchenko, Anna R.
dc.contributor.authorPantano, Sergio
dc.contributor.authorParish, Carol
dc.contributor.authorParrinello, Michele
dc.contributor.authorPeraro, Matteo dal
dc.contributor.authorPerez Acle, Tomas
dc.contributor.authorPérez, Alberto
dc.contributor.authorPerilla, Juan R.
dc.contributor.authorPettitt, B. Montgomery
dc.contributor.authorPietropaolo, Adriana
dc.contributor.authorPiquemal, Jean Philip
dc.contributor.authorPoma, Adolfo B.
dc.contributor.authorPraprotnik, Matej
dc.contributor.authorRamos, Maria João
dc.contributor.authorRen, Pengyu
dc.contributor.authorReuter, Nathalie
dc.contributor.authorRoitberg, Adrian
dc.contributor.authorRosta, Edina
dc.contributor.authorRothlisberger, Ursula
dc.contributor.authorRoux, Benoit
dc.contributor.authorRovira Virgili, Maria Del Carme
dc.contributor.authorSanbonmatsu, Karissa Y.
dc.contributor.authorSchlick, Tamar
dc.contributor.authorShaytan, Alexey K.
dc.contributor.authorSimmerling, Carlos
dc.contributor.authorSmith, Jeremy C.
dc.contributor.authorSugita, Yuji
dc.contributor.authorŚwiderek, Katarzyna
dc.contributor.authorTaiji, Makoto
dc.contributor.authorTao, Peng
dc.contributor.authorTieleman, D. Peter
dc.contributor.authorTikhonova, Irina G.
dc.contributor.authorTirado Rives, Julian
dc.contributor.authorTuñón, Iñaki
dc.contributor.authorvan der Kamp, Marc W.
dc.contributor.authorvan der Spoel, David
dc.contributor.authorVelankar, Sameer
dc.contributor.authorVivo, Marco de
dc.contributor.authorVoth, Gregory A.
dc.contributor.authorWade, Rebecca
dc.contributor.authorWarshel, Ariel
dc.contributor.authorWelborn, Valerie Vaissier
dc.contributor.authorWetmore, Stacey D.
dc.contributor.authorWheeler, Travis J.
dc.contributor.authorWong, Chung F.
dc.contributor.authorYang, Lee Wei
dc.contributor.authorZacharias, Martin
dc.date.accessioned2025-05-13T13:21:51Z
dc.date.available2025-10-01T05:10:19Z
dc.date.issued2025-04-02
dc.date.updated2025-05-13T13:21:51Z
dc.description.abstractIn the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm.
dc.format.extent5 p.
dc.format.mimetypeapplication/pdf
dc.identifier.idgrec758154
dc.identifier.idimarina6729390
dc.identifier.issn1548-7091
dc.identifier.pmid40175561
dc.identifier.urihttps://hdl.handle.net/2445/220970
dc.language.isoeng
dc.publisherNature Publishing Group
dc.relation.isformatofVersió postprint del document publicat a: https://doi.org/10.1038/s41592-025-02635-0
dc.relation.ispartofNature Methods, 2025, vol. 22, p. 641-645
dc.relation.urihttps://doi.org/10.1038/s41592-025-02635-0
dc.rights(c) Amaro, R. E. et al., 2025
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)
dc.subject.classificationBiomolècules
dc.subject.classificationBiofísica
dc.subject.classificationDades de recerca
dc.subject.otherBiomolecules
dc.subject.otherBiophysics
dc.subject.otherResearch data
dc.titleThe need to implement FAIR principles in biomolecular simulations
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/acceptedVersion

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Articles publicats en revistes (Nutrició, Ciències de l'Alimentació i Gastronomia)
Articles publicats en revistes (Bioquímica i Biomedicina Molecular)
Articles publicats en revistes (Institut de Recerca Biomèdica (IRB Barcelona))