{"entity": "researcher", "timestamp": "2026-08-20T20:49:21.352Z", "family": "Coveney", "given": "Peter", "initials": "P", "orcid": "0000-0002-8787-7256", "affiliations": ["Centre for Computational Science, University College London, London, UK.", "Institute for Informatics, University of Amsterdam, Amsterdam, Netherlands."], "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/researcher/59925335d93b4cbb86ed8f5beefba86f.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/researcher/59925335d93b4cbb86ed8f5beefba86f"}}, "publications": [{"entity": "publication", "iuid": "ecd6a29b461a49029dbb3911e6244911", "links": {"self": {"href": "https://publications-affiliated.scilifelab.se/publication/ecd6a29b461a49029dbb3911e6244911.json"}, "display": {"href": "https://publications-affiliated.scilifelab.se/publication/ecd6a29b461a49029dbb3911e6244911"}}, "title": "The need to implement FAIR principles in biomolecular simulations.", "authors": [{"family": "Amaro", "given": "Rommie E", "initials": "RE", "orcid": "0000-0002-9275-9553", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/66ae1e967c8946ec82ab57058cb57fe8.json"}}, {"family": "\u00c5qvist", "given": "Johan", "initials": "J"}, {"family": "Bahar", "given": "Ivet", "initials": "I", "orcid": "0000-0001-9959-4176", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f6095d89d23c4e8896f96a7b1fceb770.json"}}, {"family": "Battistini", "given": "Federica", "initials": "F"}, {"family": "Bellaiche", "given": "Adam", "initials": "A"}, {"family": "Beltran", "given": "Daniel", "initials": "D"}, {"family": "Biggin", "given": "Philip C", "initials": "PC"}, {"family": "Bonomi", "given": "Massimiliano", "initials": "M", "orcid": "0000-0002-7321-0004", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/0ebb27b2a86246d48615126e9be249bd.json"}}, {"family": "Bowman", "given": "Gregory R", "initials": "GR", "orcid": "0000-0002-2083-4892", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/654947bc058c482e889fb2cab26de0e0.json"}}, {"family": "Bryce", "given": "Richard A", "initials": "RA"}, {"family": "Bussi", "given": "Giovanni", "initials": "G", "orcid": "0000-0001-9216-5782", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/6c8dbc0071e143d1ac88198b4c3ee0a0.json"}}, {"family": "Carloni", "given": "Paolo", "initials": "P"}, {"family": "Case", "given": "David A", "initials": "DA"}, {"family": "Cavalli", "given": "Andrea", "initials": "A"}, {"family": "Chang", "given": "Chia-En A", "initials": "CA"}, {"family": "Cheatham", "given": "Thomas E", "initials": "TE"}, {"family": "Cheung", "given": "Margaret S", "initials": "MS"}, {"family": "Chipot", "given": "Christophe", "initials": "C", "orcid": "0000-0002-9122-1698", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/18479c5faa9f449096b416b43e123cb5.json"}}, {"family": "Chong", "given": "Lillian T", "initials": "LT"}, {"family": "Choudhary", "given": "Preeti", "initials": "P"}, {"family": "Cisneros", "given": "G Andres", "initials": "GA", "orcid": "0000-0001-6629-3430", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/d404c41a6a8f4524aa38d91e8ca14b88.json"}}, {"family": "Clementi", "given": "Cecilia", "initials": "C"}, {"family": "Collepardo-Guevara", "given": "Rosana", "initials": "R"}, {"family": "Coveney", "given": "Peter", "initials": "P", "orcid": "0000-0002-8787-7256", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/59925335d93b4cbb86ed8f5beefba86f.json"}}, {"family": "Covino", "given": "Roberto", "initials": "R", "orcid": "0000-0003-0884-0402", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/c7da64cbd2264200a010eb56a9ff58f7.json"}}, {"family": "Crawford", "given": "T Daniel", "initials": "TD"}, {"family": "Dal Peraro", "given": "Matteo", "initials": "M", "orcid": "0000-0002-2973-3975", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/89ce1aaff1394929aaee90ebe944610c.json"}}, {"family": "de Groot", "given": "Bert L", "initials": "BL", "orcid": "0000-0003-3570-3534", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e7d4aedad5ac433db33e9a81991c282d.json"}}, {"family": "Delemotte", "given": "Lucie", "initials": "L", "orcid": "0000-0002-0828-3899", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/87eaf619d7bd487ebdbe68c46b827e66.json"}}, {"family": "De Vivo", "given": "Marco", "initials": "M"}, {"family": "Essex", "given": "Jonathan W", "initials": "JW", "orcid": "0000-0003-2639-2746", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e0a363f5f1a3475c9d995de57d381110.json"}}, {"family": "Fraternali", "given": "Franca", "initials": "F", "orcid": "0000-0002-3143-6574", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/8f15e75b7ed247348f7c39557d22953a.json"}}, {"family": "Gao", "given": "Jiali", "initials": "J"}, {"family": "Gelp\u00ed", "given": "Josep Ll", "initials": "JL", "orcid": "0000-0002-0566-7723", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/26bd4c6737c74b8a8326afb64ffcc1ae.json"}}, {"family": "Gervasio", "given": "Francesco L", "initials": "FL", "orcid": "0000-0003-4831-5039", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/affb3c6375b846e2958cfd09a71c0ea1.json"}}, {"family": "Gonz\u00e1lez-Nilo", "given": "Fernando D", "initials": "FD", "orcid": "0000-0001-6857-3575", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/2eb9ede04ade4e4e89843ea5ad378257.json"}}, {"family": "Grubm\u00fcller", "given": "Helmut", "initials": "H", "orcid": "0000-0002-3270-3144", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/077a1a9310cf48ddbef5adb5c6838dec.json"}}, {"family": "Guenza", "given": "Marina G", "initials": "MG", "orcid": "0000-0002-1151-4766", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/c94474eabbe249d1ae7f447752207787.json"}}, {"family": "Guzman", "given": "Horacio V", "initials": "HV", "orcid": "0000-0003-2564-3005", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/9f09565a9c6f403ca3345e2ff34dfba1.json"}}, {"family": "Harris", "given": "Sarah", "initials": "S"}, {"family": "Head-Gordon", "given": "Teresa", "initials": "T", "orcid": "0000-0003-0025-8987", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/40e7d6f2c91a4e6fa45b45fe550c1665.json"}}, {"family": "Hernandez", "given": "Rigoberto", "initials": "R"}, {"family": "Hospital", "given": "Adam", "initials": "A", "orcid": "0000-0002-8291-8071", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/187c2ab546fd42058dc266d6b486fe30.json"}}, {"family": "Huang", "given": "Niu", "initials": "N", "orcid": "0000-0002-6912-033X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/102f9a51c9ad4ef088897604b03256d2.json"}}, {"family": "Huang", "given": "Xuhui", "initials": "X", "orcid": "0000-0002-7119-9358", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f09ce91b2c7046029ed7e7cdfeafb4d7.json"}}, {"family": "Hummer", "given": "Gerhard", "initials": "G", "orcid": "0000-0001-7768-746X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1c5c18c18252491ab252dd6c6af46bb1.json"}}, {"family": "Iglesias-Fern\u00e1ndez", "given": "Javier", "initials": "J"}, {"family": "Jensen", "given": "Jan H", "initials": "JH"}, {"family": "Jha", "given": "Shantenu", "initials": "S"}, {"family": "Jiao", "given": "Wanting", "initials": "W", "orcid": "0000-0002-0234-7206", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f7df262b7a144928aeef20cf86d50522.json"}}, {"family": "Jorgensen", "given": "William L", "initials": "WL"}, {"family": "Kamerlin", "given": "Shina C L", "initials": "SCL", "orcid": "0000-0002-3190-1173", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/c4540c85432f4cdf952b0ef7cfe1d875.json"}}, {"family": "Khalid", "given": "Syma", "initials": "S", "orcid": "0000-0002-3694-5044", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/682cd61fd6ca40feaa1593cbc0e5abfe.json"}}, {"family": "Laughton", "given": "Charles", "initials": "C", "orcid": "0000-0003-4090-3960", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5a6a2b6eb2fd442696455bae6aa3558b.json"}}, {"family": "Levitt", "given": "Michael", "initials": "M"}, {"family": "Limongelli", "given": "Vittorio", "initials": "V"}, {"family": "Lindahl", "given": "Erik", "initials": "E"}, {"family": "Lindorff-Larsen", "given": "Kresten", "initials": "K", "orcid": "0000-0002-4750-6039", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/2cd1f0559c6d4d58a1459dd38f851c93.json"}}, {"family": "Loverde", "given": "Sharon", "initials": "S", "orcid": "0000-0002-7643-6498", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/49809d2ab3cd40a18268fc88de8c9d55.json"}}, {"family": "Lundborg", "given": "Magnus", "initials": "M", "orcid": "0000-0002-0873-7854", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/ab1b1b7c73fd44b9b880106feaa56feb.json"}}, {"family": "Luo", "given": "Yun L", "initials": "YL", "orcid": "0000-0003-3581-754X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/93935c782597426abb2853a967d378a4.json"}}, {"family": "Luque", "given": "F Javier", "initials": "FJ", "orcid": "0000-0002-8049-3567", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5f523b5e4d184b2d9d3be38e94362982.json"}}, {"family": "Lynch", "given": "Charlotte I", "initials": "CI", "orcid": "0000-0001-6619-6331", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3272cb2ac048460aab4b61bbf7cfc459.json"}}, {"family": "MacKerell", "given": "Alexander D", "initials": "AD", "orcid": "0000-0001-8287-6804", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/372ab040bbff4f82a721dac32a6d4917.json"}}, {"family": "Magistrato", "given": "Alessandra", "initials": "A"}, {"family": "Marrink", "given": "Siewert J", "initials": "SJ", "orcid": "0000-0001-8423-5277", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f33fee7ce3f14f4c84f964499ded5683.json"}}, {"family": "Martin", "given": "Hugh", "initials": "H"}, {"family": "McCammon", "given": "J Andrew", "initials": "JA", "orcid": "0000-0003-3065-1456", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/c002458767364493a5cb30fb74c953ab.json"}}, {"family": "Merz", "given": "Kenneth", "initials": "K", "orcid": "0000-0001-9139-5893", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5b1698b551974f8281556ea85b2ccf9c.json"}}, {"family": "Moliner", "given": "Vicent", "initials": "V"}, {"family": "Mulholland", "given": "Adrian J", "initials": "AJ", "orcid": "0000-0003-1015-4567", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e33edd78b33e49b18f3969fa96d1b37c.json"}}, {"family": "Murad", "given": "Sohail", "initials": "S"}, {"family": "Naganathan", "given": "Athi N", "initials": "AN", "orcid": "0000-0002-1655-7802", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/d17faf86e89d44ba83dc91bdc057274e.json"}}, {"family": "Nangia", "given": "Shikha", "initials": "S"}, {"family": "Noe", "given": "Frank", "initials": "F", "orcid": "0000-0003-4169-9324", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/852838b35de241a38712a04dbbd6b938.json"}}, {"family": "Noy", "given": "Agnes", "initials": "A", "orcid": "0000-0003-0673-8949", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/da1f16de661e4ccbb30b8380e468f619.json"}}, {"family": "Ol\u00e1h", "given": "Julianna", "initials": "J"}, {"family": "O'Mara", "given": "Megan L", "initials": "ML", "orcid": "0000-0002-8764-1585", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/1fa38ed00226405ebcd5ec12105a4476.json"}}, {"family": "Ondrechen", "given": "Mary Jo", "initials": "MJ", "orcid": "0000-0003-2456-4313", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3c68a00115714c0385fd1899451fabb3.json"}}, {"family": "Onuchic", "given": "Jose N", "initials": "JN", "orcid": "0000-0002-9448-0388", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b9592fa9f1b54a29b87e4c89c420ed53.json"}}, {"family": "Onufriev", "given": "Alexey", "initials": "A"}, {"family": "Osuna", "given": "S\u00edlvia", "initials": "S"}, {"family": "Palermo", "given": "Giulia", "initials": "G"}, {"family": "Panchenko", "given": "Anna R", "initials": "AR"}, {"family": "Pantano", "given": "Sergio", "initials": "S"}, {"family": "Parish", "given": "Carol", "initials": "C"}, {"family": "Parrinello", "given": "Michele", "initials": "M"}, {"family": "Perez", "given": "Alberto", "initials": "A", "orcid": "0000-0002-5054-5338", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/888911fd791342e2a224adf853d47c5f.json"}}, {"family": "Perez-Acle", "given": "Tomas", "initials": "T"}, {"family": "Perilla", "given": "Juan R", "initials": "JR", "orcid": "0000-0003-1171-6816", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/5c0f3b3c470349b3bde814858c96762e.json"}}, {"family": "Pettitt", "given": "B Montgomery", "initials": "BM"}, {"family": "Pietropaolo", "given": "Adriana", "initials": "A"}, {"family": "Piquemal", "given": "Jean-Philip", "initials": "JP", "orcid": "0000-0001-6615-9426", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f83ccc1156f04b349e32e6d79cb95412.json"}}, {"family": "Poma", "given": "Adolfo B", "initials": "AB", "orcid": "0000-0002-8875-3220", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/e827f816bf2f4d5fae371125dc7c1fc5.json"}}, {"family": "Praprotnik", "given": "Matej", "initials": "M", "orcid": "0000-0003-0825-1659", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3f3426137b464cc384cb01422cd47ccd.json"}}, {"family": "Ramos", "given": "Maria J", "initials": "MJ"}, {"family": "Ren", "given": "Pengyu", "initials": "P"}, {"family": "Reuter", "given": "Nathalie", "initials": "N", "orcid": "0000-0002-3649-7675", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/3b4cda7af8f04ac2b3b442298a81c2da.json"}}, {"family": "Roitberg", "given": "Adrian", "initials": "A"}, {"family": "Rosta", "given": "Edina", "initials": "E"}, {"family": "Rovira", "given": "Carme", "initials": "C", "orcid": "0000-0003-1477-5010", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/eabd9f821ccc4303a06029980c2669f0.json"}}, {"family": "Roux", "given": "Benoit", "initials": "B", "orcid": "0000-0002-5254-2712", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/f8cb220b172942c4821a414dbd7d419a.json"}}, {"family": "Rothlisberger", "given": "Ursula", "initials": "U", "orcid": "0000-0002-1704-8591", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/05288e7d55aa42508609d4e97065edeb.json"}}, {"family": "Sanbonmatsu", "given": "Karissa Y", "initials": "KY", "orcid": "0000-0002-7965-7392", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/94449fd0823348b48a474df88204c355.json"}}, {"family": "Schlick", "given": "Tamar", "initials": "T"}, {"family": "Shaytan", "given": "Alexey K", "initials": "AK"}, {"family": "Simmerling", "given": "Carlos", "initials": "C", "orcid": "0000-0002-7252-4730", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/28a21684966246c19fca82ffca0c57e7.json"}}, {"family": "Smith", "given": "Jeremy C", "initials": "JC", "orcid": "0000-0002-2978-3227", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/138848a7073a43c396a17f29ba3c1924.json"}}, {"family": "Sugita", "given": "Yuji", "initials": "Y", "orcid": "0000-0001-9738-9216", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/076dc65c84024ac7a1ada02881389e0d.json"}}, {"family": "\u015awiderek", "given": "Katarzyna", "initials": "K", "orcid": "0000-0002-7528-1551", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/d02a27fab67b4c3587dc3c94e60029ee.json"}}, {"family": "Taiji", "given": "Makoto", "initials": "M"}, {"family": "Tao", "given": "Peng", "initials": "P", "orcid": "0000-0002-2488-0239", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/70a19c7eca494823985d36bab927eac2.json"}}, {"family": "Tieleman", "given": "D Peter", "initials": "DP", "orcid": "0000-0001-5507-0688", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/b16bf51385e64c0a9b235e9c4190148a.json"}}, {"family": "Tikhonova", "given": "Irina G", "initials": "IG", "orcid": "0000-0002-6228-9431", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/fca33611ad494f51bd204d3ccfcf68fc.json"}}, {"family": "Tirado-Rives", "given": "Julian", "initials": "J", "orcid": "0000-0001-7330-189X", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/0bea46f155fc46f7b1403e751c49f11f.json"}}, {"family": "Tu\u00f1\u00f3n", "given": "I\u00f1aki", "initials": "I"}, {"family": "van der Kamp", "given": "Marc W", "initials": "MW"}, {"family": "van der Spoel", "given": "David", "initials": "D", "orcid": "0000-0002-7659-8526", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/a5e69bc348284be9936c3f4ac9c6cb35.json"}}, {"family": "Velankar", "given": "Sameer", "initials": "S", "orcid": "0000-0002-8439-5964", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/30f88888429c46d698e49f80e79c3083.json"}}, {"family": "Voth", "given": "Gregory A", "initials": "GA"}, {"family": "Wade", "given": "Rebecca", "initials": "R"}, {"family": "Warshel", "given": "Ariel", "initials": "A", "orcid": "0000-0001-7971-5401", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/41e9c8723691461c93e09e69251e244d.json"}}, {"family": "Welborn", "given": "Valerie Vaissier", "initials": "VV"}, {"family": "Wetmore", "given": "Stacey D", "initials": "SD", "orcid": "0000-0002-5801-3942", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/156e1f23f71d4511a8c5274d2cdf7a79.json"}}, {"family": "Wheeler", "given": "Travis J", "initials": "TJ"}, {"family": "Wong", "given": "Chung F", "initials": "CF"}, {"family": "Yang", "given": "Lee-Wei", "initials": "LW", "orcid": "0000-0002-3971-6386", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/242ed7f7cf9148cbad08da4d80284c6f.json"}}, {"family": "Zacharias", "given": "Martin", "initials": "M", "orcid": "0000-0001-5163-2663", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/69971c7616b54a81aa4869f7e398874f.json"}}, {"family": "Orozco", "given": "Modesto", "initials": "M", "orcid": "0000-0002-8608-3278", "researcher": {"href": "https://publications-affiliated.scilifelab.se/researcher/0a8f3078247343caa509415a9b941b17.json"}}], "type": "journal article", "published": "2025-04-00", "journal": {"title": "Nat. Methods", "issn": "1548-7105", "volume": "22", "issue": "4", "pages": "641-645", "issn-l": "1548-7091"}, "abstract": "In 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.", "doi": "10.1038/s41592-025-02635-0", "pmid": "40175561", "labels": [], "xrefs": [{"db": "mid", "key": "NIHMS2081560"}, {"db": "pmc", "key": "PMC12950262"}, {"db": "pii", "key": "10.1038/s41592-025-02635-0"}], "notes": [], "created": "2026-08-20T09:03:25.648Z", "modified": "2026-08-20T09:03:27.707Z"}]}