The need to implement FAIR principles in biomolecular simulations.

{"title":"The need to implement FAIR principles in biomolecular simulations.","authors":"Rommie E Amaro, Johan Åqvist, Ivet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltran, Philip C Biggin, Massimiliano Bonomi, Gregory R Bowman, Richard A Bryce, Giovanni Bussi, Paolo Carloni, David A Case, Andrea Cavalli, Chia-En A Chang, Thomas E Cheatham, Margaret S Cheung, Christophe Chipot, Lillian T Chong, Preeti Choudhary, G Andres Cisneros, Cecilia Clementi, Rosana Collepardo-Guevara, Peter Coveney, Roberto Covino, T Daniel Crawford, Matteo Dal Peraro, Bert L de Groot, Lucie Delemotte, Marco De Vivo, Jonathan W Essex, Franca Fraternali, Jiali Gao, Josep Ll Gelpí, Francesco L Gervasio, Fernando D González-Nilo, Helmut Grubmüller, Marina G Guenza, Horacio V Guzman, Sarah Harris, Teresa Head-Gordon, Rigoberto Hernandez, Adam Hospital, Niu Huang, Xuhui Huang, Gerhard Hummer, Javier Iglesias-Fernández, Jan H Jensen, Shantenu Jha, Wanting Jiao, William L Jorgensen, Shina C L Kamerlin, Syma Khalid, Charles Laughton, Michael Levitt, Vittorio Limongelli, Erik Lindahl, Kresten Lindorff-Larsen, Sharon Loverde, Magnus Lundborg, Yun L Luo, F Javier Luque, Charlotte I Lynch, Alexander D MacKerell, Alessandra Magistrato, Siewert J Marrink, Hugh Martin, J Andrew McCammon, Kenneth Merz, Vicent Moliner, Adrian J Mulholland, Sohail Murad, Athi N Naganathan, Shikha Nangia, Frank Noe, Agnes Noy, Julianna Oláh, Megan L O'Mara, Mary Jo Ondrechen, Jose N Onuchic, Alexey Onufriev, Sílvia Osuna, Giulia Palermo, Anna R Panchenko, Sergio Pantano, Carol Parish, Michele Parrinello, Alberto Perez, Tomas Perez-Acle, Juan R Perilla, B Montgomery Pettitt, Adriana Pietropaolo, Jean-Philip Piquemal, Adolfo B Poma, Matej Praprotnik, Maria J Ramos, Pengyu Ren, Nathalie Reuter, Adrian Roitberg, Edina Rosta, Carme Rovira, Benoit Roux, Ursula Rothlisberger, Karissa Y Sanbonmatsu, Tamar Schlick, Alexey K Shaytan, Carlos Simmerling, Jeremy C Smith, Yuji Sugita, Katarzyna Świderek, Makoto Taiji, Peng Tao, D Peter Tieleman, Irina G Tikhonova, Julian Tirado-Rives, Iñaki Tuñón, Marc W van der Kamp, David van der Spoel, Sameer Velankar, Gregory A Voth, Rebecca Wade, Ariel Warshel, Valerie Vaissier Welborn, Stacey D Wetmore, Travis J Wheeler, Chung F Wong, Lee-Wei Yang, Martin Zacharias, Modesto Orozco","doi":"10.1038/s41592-025-02635-0","DOIUrl":null,"url":null,"abstract":"","PeriodicalId":18981,"journal":{"name":"Nature Methods","volume":" ","pages":""},"PeriodicalIF":36.1000,"publicationDate":"2025-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nature Methods","FirstCategoryId":"99","ListUrlMain":"https://doi.org/10.1038/s41592-025-02635-0","RegionNum":1,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}