The need to implement FAIR principles in biomolecular simulations

作者：Rommie Elizabeth Amaro, Johan Åqvist, İvet Bahar, Federica Battistini, Adam Bellaiche, Daniel Beltrán, Philip Charles Biggin, Massimiliano Bonomi, Gregory R. Bowman, Richard A. Bryce, Giovanni Bussi, Paolo Carloni, David Andrew Case, Andrea Cavalli, Chia‐en A. Chang, Thomas E. Cheatham, Margaret S. Cheung, Christophe J. Chipot, Lillian T. Chong, Preeti Choudhary, Gerardo 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 Danilo González-Nilo, Helmut Grubmüller, Marina Guenza, Horacio V. Guzman, Sarah J. Harris, Teresa L. Head-Gordon, Rigoberto Hernandez, Niu Huang, Xuhui Huang, Gerhard Hummer, Javier Iglesias‐Fernández, Jan Halborg Jensen, Shantenu Jha, Wanting Jiao, William L. Jorgensen, Shina Caroline Lynn Kamerlin, Syma Khalid, Charles A. Laughton, Michael Levitt, Vittorio Limongelli, Erik R. Lindahl, Kresten Lindorff‐Larsen, Sharon M. Loverde, Magnus Lundborg, Yun Luo, Francisco Javier Luque, Charlotte I. Lynch, Alexander D. MacKerell, Alessandra Magistrato, ‪Siewert J. Marrink, Hugh S. C. Martin, James 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, Bernard Montgomery Pettitt, Adriana Pietropaolo, Jean‐Philip Piquemal, Adolfo B. Poma, Matej Praprotnik, Maria J. Ramos, Pengyu Y. Ren, Nathalie Reuter, Adrián E. Roitberg, Edina Rosta, Carme Rovira, Benoı̂t Roux, Ursula Röthlisberger, Karissa Y. Sanbonmatsu, Tamar Schlick, Alexey К. Shaytan, Carlos L. 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 S Velankar, Gregory A. Voth, Rebecca C. Wade, Arieh Warshel, Valerie Vaissier Welborn, Stacey D. Wetmore, Travis J. Wheeler, Chung Fai Wong, Lee‐Wei Yang, Martin Zacharias, Modesto Orozco · 发表于：Nature Methods · 年份：2025 · DOI：10.1038/s41592-025-02635-0 · 被引用次数：67 · 研究领域：Scientific Computing and Data Management、Research Data Management Practices、Genetics, Bioinformatics, and Biomedical Research