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The Need to Implement FAIR Principles in Biomolecular Simulations

Rommie Amaro,Johan Åqvist,Ivet Bahar,Federica Battistini, Adam Bellaiche,Daniel Beltran, Philip C. Biggin,Massimiliano Bonomi, Gregory R. Bowman,Richard Bryce,Giovanni Bussi,Paolo Carloni,David Case,Andrea Cavalli, Chie-En A. Chang, Thomas E. Cheatham III, Margaret S. Cheung, Cris Chipot,Lillian T. Chong, Preeti Choudhary,Gerardo Andres Cisneros,Cecilia Clementi,Rosana Collepardo-Guevara,Peter Coveney,Roberto Covino,T. Daniel Crawford,Matteo Dal Peraro,Bert de Groot,Lucie Delemotte,Marco De Vivo,Jonathan Essex,Franca Fraternali,Jiali Gao,Josep Lluís Gelpí,Francesco Luigi Gervasio,Fernando Danilo Gonzalez-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 Laughton,Michael Levitt, Vittorio Limongelli,Erik Lindahl,Kresten Lindorff-Larsen, Sharon Loverde,Magnus Lundborg, Yun Lyna Luo,Francisco Javier Luque, Charlotte I. Lynch,Alexander MacKerell, Alessandra Magistrato, Siewert J. Marrink, Hugh Martin,J. Andrew McCammon,Kenneth Merz, Vicent Moliner,Adrian Mulholland, Sohail Murad,Athi N. Naganathan,Shikha Nangia,Frank Noe,Agnes Noy,Julianna Oláh, Megan O'Mara,Mary Jo Ondrechen,José N. Onuchic,Alexey Onufriev, Silvia Osuna,Anna R. Panchenko, Sergio Pantano, Carol Parish,Michele Parrinello,Alberto Perez, Tomas Perez-Acle, Juan R. Perilla,B. Montgomery Pettitt, Adriana Pietropalo, Jean-Philip Piquemal, Adolfo Poma,Matej Praprotnik, Maria J. Ramos,Pengyu Ren,Nathalie Reuter,Adrian Roitberg, Edina Rosta, Carme Rovira,Benoit Roux,Ursula Röthlisberger,Karissa Y. Sanbonmatsu,Tamar Schlick,Alexey K. Shaytan,Carlos Simmerling, Jeremy C. Smith,Yuji Sugita,Katarzyna Świderek,Makoto Taiji, Peng Tao, Irina G. Tikhonova,Julian Tirado-Rives,Inaki Tunón, Marc W. Van Der Kamp,David Van der Spoel,Sameer Velankar,Gregory A. Voth,Rebecca Wade, Ariel Warshel,Valerie Vaissier Welborn, Stacey Wetmore,Chung F. Wong,Lee-Wei Yang,Martin Zacharias,Modesto Orozco

arxiv(2024)

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