El CRAI romandrà tancat del 24 de desembre de 2025 al 6 de gener de 2026. La validació de documents es reprendrà a partir del 7 de gener de 2026.
El CRAI permanecerá cerrado del 24 de diciembre de 2025 al 6 de enero de 2026. La validación de documentos se reanudará a partir del 7 de enero de 2026.
From 2025-12-24 to 2026-01-06, the CRAI remain closed and the documents will be validated from 2026-01-07.
 
Carregant...
Miniatura

Tipus de document

Article

Versió

Versió acceptada

Data de publicació

Tots els drets reservats

Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/220970

The need to implement FAIR principles in biomolecular simulations

Títol de la revista

Director/Tutor

ISSN de la revista

Títol del volum

Resum

In the Big Data era, a change of paradigm in the use of molecular dynamics is required. Trajectories should be stored under FAIR (findable, accessible, interoperable and reusable) requirements to favor its reuse by the community under an open science paradigm.

Citació

Citació

AMARO, Rommie e., ÅQVIST, Johan, BAHAR, Ivet, BATTISTINI, Federica, BELLAÏCHE, Adam, BELTRAN, Daniel, BIGGIN, Philip c., BONOMI, Massimiliano, BOWMAN, Gregory r., BRYCE, Richard a., BUSSI, Giovanni, CARLONI, Paolo, CASE, David a., CAVALLI, Andrea, CHANG, Chia-en a., CHEATHAM, Thomas e., CHEUNG, Margaret s., CHIPOT, Christophe, CHONG, Lillian t., CHOUDHARY, Preeti, CISNEROS, G. andrés, CLEMENTI, Cecilia, COLLEPARDO GUEVARA, Rosana, COVENEY, Peter, COVINO, Roberto, CRAWFORD, T. daniel, DELEMOTTE, Lucie, ESSEX, Jonathan w., FRATERNALI, Franca, GAO, Jiali, GELPÍ, Josep lluís, GERVASIO, Francesco luigi, GONZÁLEZ NILO, Fernando danilo, GROOT, Bert l. de, GRUBMÜLLER, Helmut, GUENZA, Marina g., 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 a., LEVITT, Michael, LIMONGELLI, Vittorio, LINDAHL, Erik, LINDORFF-LARSEN, Kresten, LOVERDE, Sharon, LUNDBORG, Magnus, LUO, Yun lyna, LUQUE GARRIGA, F. xavier, LYNCH, Charlotte i., MACKERELL, Alexander, MAGISTRATO, Alessandra, MARRINK, Siewert j., MARTIN, Hugh, MCCAMMON, J. andrew, MERZ, Kenneth, MOLINER, Vicent, MULHOLLAND, Adrian j., MURAD, Sohail, NAGANATHAN, Athi n., NANGIA, Shikha, NOE, Frank, NOY FREIXA, Agnès, OLAH, Julianna, O’MARA, Megan l., ONDRECHEN, Mary jo, ONUCHIC, Jose n., ONUFRIEV, Alexey, OROZCO LÓPEZ, Modesto, OSUNA, Sílvia, PALERMO, Giulia, PANCHENKO, Anna r., PANTANO, Sergio, PARISH, Carol, PARRINELLO, Michele, PERARO, Matteo dal, PEREZ ACLE, Tomas, PÉREZ, Alberto, PERILLA, Juan r., PETTITT, B. montgomery, PIETROPAOLO, Adriana, PIQUEMAL, Jean philip, POMA, Adolfo b., PRAPROTNIK, Matej, RAMOS, Maria joão, REN, Pengyu, REUTER, Nathalie, ROITBERG, Adrian, ROSTA, Edina, ROTHLISBERGER, Ursula, ROUX, Benoit, ROVIRA VIRGILI, Maria del carme, SANBONMATSU, Karissa y., SCHLICK, Tamar, SHAYTAN, Alexey k., SIMMERLING, Carlos, SMITH, Jeremy c., SUGITA, Yuji, ŚWIDEREK, Katarzyna, TAIJI, Makoto, TAO, Peng, TIELEMAN, D. peter, TIKHONOVA, Irina g., TIRADO RIVES, Julian, TUÑÓN, Iñaki, VAN DER KAMP, Marc w., VAN DER SPOEL, David, VELANKAR, Sameer, VIVO, Marco de, VOTH, Gregory a., WADE, Rebecca, WARSHEL, Ariel, WELBORN, Valerie vaissier, WETMORE, Stacey d., WHEELER, Travis j., WONG, Chung f., YANG, Lee wei, ZACHARIAS, Martin. The need to implement FAIR principles in biomolecular simulations. _Nature Methods_. 2025. Vol. 22, núm. 641-645. [consulta: 28 de desembre de 2025]. ISSN: 1548-7091. [Disponible a: https://hdl.handle.net/2445/220970]

Exportar metadades

JSON - METS

Compartir registre