The need to implement FAIR principles in biomolecular simulations

Rommie E. Amaro, Johan Åqvist, İvet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltrán, 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. Andrés Cisneros, Cecilia Clementi, Rosana Collepardo‐Guevara, Peter V. 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 Lluis Gelpí, Francesco Luigi Gervasio, Fernando D. González‐Nilo, Helmut Grubmüller, Marina 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 Caroline Lynn Kamerlin, Syma Khalid, Charles A. Laughton, Michael Levitt, Vittorio Limongelli, Erik Lindahl, Kresten Lindorff‐Larsen, Sharon M. Loverde, Magnus Lundborg, Yun Luo, F. Javier Luque, Charlotte I. Lynch, Alexander D. MacKerell, Alessandra Magistrato, ‪Siewert J. Marrink, Hugh Martin, J. Andrew McCammon, Kenneth M. Merz, Vicent Moliner, Adrian J. Mulholland, Sohail Murad, Athi N. Naganathan, Shikha Nangia, Frank Noé, Agnes Noy, Julianna Oláh, Megan L. O’Mara, Mary Jo Ondrechen, José N. Onuchic, Alexey V. Onufriev, Sílvia Osuna, Giulia Palermo, Anna R. Panchenko, Sergio Pantano, Carol A. Parish, Michele Parrinello, Alberto Pérez, 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, Adrián E. Roitberg, Edina Rosta (2025). The need to implement FAIR principles in biomolecular simulations. Nature Methods, DOI: 10.1038/s41592-025-02635-0.