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

Mean curvature flow in an extended Ricci flow background

Autor: Gomes, José N. V., Hudson, Matheus

Publikováno v: The Journal of Geometric Analysis, 2023

In this paper, we consider functionals related to mean curvature flow in an ambient space which evolves by an extended Ricci flow from the perspective introduced by Lott when studying a mean curvature flow in a Ricci flow background. One of them is a

Externí odkaz: http://arxiv.org/abs/2301.07073

Tracing, Ranking and Valuation of Aggregated DER Flexibility in Active Distribution Networks

Autor: Churkin, Andrey, Kong, Wangwei, Gutierrez, Jose N. Melchor, Ceseña, Eduardo A. Martínez, Mancarella, Pierluigi

The integration of distributed energy resources (DER) makes active distribution networks (ADNs) natural providers of flexibility services. However, the optimal operation of flexible units in ADNs is highly complex, which poses challenges for distribu

Externí odkaz: http://arxiv.org/abs/2210.03589

Image-Based Analysis of the Bactericidal Effect of Lactobacillus acidophilus Application in Cheeses Made from Raw Milk

Autor: Eder M. Vega-Chinchay, Jose N. Jimenez-Bustamante, Felix Bustamante-Bustamante, Edson M. Caro-Degollar

Publikováno v: Chemical Engineering Transactions, Vol 110 (2024)

Coliforms have a high incidence as causative agents of foodborne illnesses. This study aimed to assess the bactericidal activity of Lactobacillus acidophilus at varying concentrations against total coliforms in fresh cheeses made from raw milk, emplo

Externí odkaz: https://doaj.org/article/4dcd29e85130452c8603bc13abb83a0f

Efficient predefined time adaptive neural network for motor execution EEG signal classification based brain-computer interaction

Autor: N, Jose N, Gore, Deipali, G, Vivekanandan, E, Nithya, V, Nallarasan, K, Krishnakumar

Publikováno v: In Knowledge-Based Systems 4 November 2024 303