The need to implement FAIR principles in biomolecular simulations

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

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and sustain a data

Externí odkaz: http://arxiv.org/abs/2407.16584

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Proceeding of the 1st Workshop on Social Robots Personalisation At the crossroads between engineering and humanities (CONCATENATE)

Autor: Tarakli, Imene, Angelopoulos, Georgios, Hellou, Mehdi, Vindolet, Camille, Abramovic, Boris, Limongelli, Rocco, Lacroix, Dimitri, Bertolini, Andrea, Rossi, Silvia, Di Nuovo, Alessandro, Cangelosi, Angelo, Cheng, Gordon

Nowadays, robots are expected to interact more physically, cognitively, and socially with people. They should adapt to unpredictable contexts alongside individuals with various behaviours. For this reason, personalisation is a valuable attribute for

Externí odkaz: http://arxiv.org/abs/2307.12777

Critical assessment of variant prioritization methods for rare disease diagnosis within the rare genomes project

Autor: Sarah L. Stenton, Melanie C. O’Leary, Gabrielle Lemire, Grace E. VanNoy, Stephanie DiTroia, Vijay S. Ganesh, Emily Groopman, Emily O’Heir, Brian Mangilog, Ikeoluwa Osei-Owusu, Lynn S. Pais, Jillian Serrano, Moriel Singer-Berk, Ben Weisburd, Michael W. Wilson, Christina Austin-Tse, Marwa Abdelhakim, Azza Althagafi, Giulia Babbi, Riccardo Bellazzi, Samuele Bovo, Maria Giulia Carta, Rita Casadio, Pieter-Jan Coenen, Federica De Paoli, Matteo Floris, Manavalan Gajapathy, Robert Hoehndorf, Julius O. B. Jacobsen, Thomas Joseph, Akash Kamandula, Panagiotis Katsonis, Cyrielle Kint, Olivier Lichtarge, Ivan Limongelli, Yulan Lu, Paolo Magni, Tarun Karthik Kumar Mamidi, Pier Luigi Martelli, Marta Mulargia, Giovanna Nicora, Keith Nykamp, Vikas Pejaver, Yisu Peng, Thi Hong Cam Pham, Maurizio S. Podda, Aditya Rao, Ettore Rizzo, Vangala G. Saipradeep, Castrense Savojardo, Peter Schols, Yang Shen, Naveen Sivadasan, Damian Smedley, Dorian Soru, Rajgopal Srinivasan, Yuanfei Sun, Uma Sunderam, Wuwei Tan, Naina Tiwari, Xiao Wang, Yaqiong Wang, Amanda Williams, Elizabeth A. Worthey, Rujie Yin, Yuning You, Daniel Zeiberg, Susanna Zucca, Constantina Bakolitsa, Steven E. Brenner, Stephanie M. Fullerton, Predrag Radivojac, Heidi L. Rehm, Anne O’Donnell-Luria

Publikováno v: Human Genomics, Vol 18, Iss 1, Pp 1-25 (2024)

Abstract Background A major obstacle faced by families with rare diseases is obtaining a genetic diagnosis. The average "diagnostic odyssey" lasts over five years and causal variants are identified in under 50%, even when capturing variants genome-wi

Externí odkaz: https://doaj.org/article/29fbe7d26d88463789f004c8908aa4a7

A matter of sex—persistent predictive value of MECKI score prognostic power in men and women with heart failure and reduced ejection fraction: a multicenter study

Autor: Giulia Grilli, Elisabetta Salvioni, Federica Moscucci, Alice Bonomi, Gianfranco Sinagra, Michele Schaeffer, Jeness Campodonico, Massimo Mapelli, Maddalena Rossi, Cosimo Carriere, Michele Emdin, Massimo Piepoli, Stefania Paolillo, Michele Senni, Claudio Passino, Anna Apostolo, Federica Re, Caterina Santolamazza, Damiano Magrì, Carlo M. Lombardi, Ugo Corrà, Rosa Raimondo, Antonio Cittadini, Annamaria Iorio, Andrea Salzano, Rocco Lagioia, Carlo Vignati, Roberto Badagliacca, Andrea Passantino, Pasquale Perrone Filardi, Michele Correale, Enrico Perna, Davide Girola, Marco Metra, Gaia Cattadori, Marco Guazzi, Giuseppe Limongelli, Gianfranco Parati, Fabiana De Martino, Maria Vittoria Matassini, Francesco Bandera, Maurizio Bussotti, Angela Beatrice Scardovi, Susanna Sciomer, Piergiuseppe Agostoni, MECKI Score Research Group, Armando Ferraretti, Cristina Gussago, Domenico Scrutinio, Donatella Bertipaglia, Elisa Battaia, Michele Moretti, Francesca Pietrucci, Geza Halasz, Bruno Capelli, Giovanna Gallo, Emiliano Fiori, Giovanni Marchese, Giuseppe Pacileo, Fabio Valente, Rossella Vastarella, Rita Gravino, Matilda Shkoza, Nikita Baracchini, Teresa Capovilla, Andrea Di Lenarda, Alberto Maria Marra, Roberta D’Assante, Giulia Crisci, Roberto Ricci, Luca Arcari, Sergio Caravita, Elena Viganò, Stefania Farina, Beatrice Pezzuto, Pietro Palermo, Mauro Contini, Paola Gugliandolo, Irene Mattavelli, Michele Della Rocca

Publikováno v: Frontiers in Cardiovascular Medicine, Vol 11 (2024)

BackgroundA sex-based evaluation of prognosis in heart failure (HF) is lacking.Methods and resultsWe analyzed the Metabolic Exercise test data combined with Cardiac and Kidney Indexes (MECKI) score registry, which includes HF with reduced ejection fr

Externí odkaz: https://doaj.org/article/dd800531adc14f9b826b5f5b2a843ce7