Amaro, Rommie E.Aqvist, JohanBahar, IvetBattistini, FedericaBellaiche, AdamBeltran, DanielBiggin, Philip C.Bonomi, MassimilianoBowman, Gregory R.Bryce, Richard A.Bussi, GiovanniCarloni, PaoloCase, David A.Cavalli, AndreaChang, Chia-En A.Cheatham, Thomas E.Cheung, Margaret S.Chipot, ChristopheChong, Lillian T.Choudhary, PreetiCisneros, G. AndresClementi, CeciliaCollepardo-Guevara, RosanaCoveney, PeterCovino, RobertoCrawford, T. DanielDal Peraro, Matteode Groot, Bert L.Delemotte, LucieDe Vivo, MarcoEssex, Jonathan W.Fraternali, FrancaGao, JialiGelpi, Josep LlGervasio, Francesco L.Gonzalez-Nilo, Fernando D.Grubmuller, HelmutGuenza, Marina G.Guzman, Horacio V.Harris, SarahHead-Gordon, TeresaHernandez, RigobertoHospital, AdamHuang, NiuHuang, XuhuiHummer, GerhardIglesias-Fernandez, JavierJensen, Jan H.Jha, ShantenuJiao, WantingJorgensen, William L.Kamerlin, Shina CL L.Khalid, SymaLaughton, CharlesLevitt, MichaelLimongelli, VittorioLindahl, ErikLindorff-Larsen, KrestenLoverde, SharonLundborg, MagnusLuo, Yun L.Luque, F. JavierLynch, Charlotte I.MacKerell, Alexander D.Magistrato, AlessandraMarrink, Siewert J.Martin, HughMcCammon, J. AndrewMerz, KennethMoliner, VicentMulholland, Adrian J.Murad, SohailNaganathan, Athi N.Nangia, ShikhaNoe, FrankNoy, AgnesOlah, JuliannaO'Mara, Megan L.Ondrechen, Mary JoOnuchic, Jose N.Onufriev, Alexey V.Osuna, SilviaPalermo, GiuliaPanchenko, Anna R.Pantano, SergioParish, CarolParrinello, MichelePerez, AlbertoPerez-Acle, TomasPerilla, Juan R.Pettitt, B. MontgomeryPietropaolo, AdrianaPiquemal, Jean-PhilipPoma, Adolfo B.Praprotnik, MatejRamos, Maria J.Ren, PengyuReuter, NathalieRoitberg, AdrianRosta, EdinaRovira, CarmeRoux, BenoitRothlisberger, UrsulaSanbonmatsu, Karissa Y.Schlick, TamarShaytan, Alexey K.Simmerling, CarlosSmith, Jeremy C.Sugita, YujiSwiderek, KatarzynaTaiji, MakotoTao, PengTieleman, D. PeterTikhonova, Irina G.Tirado-Rives, JulianTunon, Inakivan der Kamp, Marc W.van der Spoel, DavidVelankar, SameerVoth, Gregory A.Wade, RebeccaWarshel, ArielWelborn, Valerie VaissierWetmore, Stacey D.Wheeler, Travis J.Wong, Chung F.Yang, Lee-WeiZacharias, MartinOrozco, Modesto2026-02-122026-02-122025-041548-709110.1038/s41592-025-02635-0 (PII)https://hdl.handle.net/10919/141238In 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.Pages 641-6455 page(s)application/pdfenPublic Domain (U.S.)Articlehttps://doi.org/10.1038/s41592-025-02635-0224Onufriev, Alexey [0000-0002-4930-6612]Welborn, Valerie [0000-0003-0834-4441]Crawford, Thomas [0000-0002-7961-7016]401755611548-7105