Zobrazeno 1 - 10
of 721
pro vyhledávání: '"A. Pietrucci"'
Autor:
Vincent, Rajaji, Galafassi, Riccardo, Hellani, Mohammad, Forestier, Alexis, Brigiano, Flavio Siro, Araujo, Bruno Sousa, Piednoir, Agnes, Diaf, Hatem, Pietrucci, Fabio, Filho, Antonio Gomes Souza, del Fatti, Natalia, Vialla, Fabien, San-Miguel, Alfonso
Discovering innovative methods to understand phase transitions, modify phase diagrams, and uncover novel synthesis routes poses significant and far-reaching challenges. In this study, we demonstrate the formation of nanodiamond-like sp3 carbon from f
Externí odkaz:
http://arxiv.org/abs/2405.06416
Autor:
France-Lanord, Arthur, Vroylandt, Hadrien, Salanne, Mathieu, Rotenberg, Benjamin, Saitta, A. Marco, Pietrucci, Fabio
Identifying optimal collective variables to model transformations, using atomic-scale simulations, is a long-standing challenge. We propose a new method for the generation, optimization, and comparison of collective variables, which can be thought of
Externí odkaz:
http://arxiv.org/abs/2312.13868
Autor:
Samanta Mecocci, Daniele Pietrucci, Marco Milanesi, Stefano Capomaccio, Luisa Pascucci, Chiara Evangelista, Loredana Basiricò, Umberto Bernabucci, Giovanni Chillemi, Katia Cappelli
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-19 (2024)
Abstract Recently, much interest has been raised for the characterization of signaling molecules carried by extracellular vesicles (EVs), which are particularly enriched in milk (mEVs). Such interest is linked to the capability of EVs to cross biolog
Externí odkaz:
https://doaj.org/article/74dc85524c744dcaaf30a1fc703e3d6d
Publikováno v:
J. Chem. Theory Comput. 2023, 19, 17, 5701
Finding optimal reaction coordinates and predicting accurate kinetic rates for activated processes are two of the foremost challenges of molecular simulations. We introduce an algorithm that tackles the two problems at once: starting from a limited n
Externí odkaz:
http://arxiv.org/abs/2302.12497
Autor:
Lam, Julien, Pietrucci, Fabio
The nucleation of crystals is a prominent phenomenon in science and technology that still lacks a full atomic-scale understanding. Much work has been devoted to identifying order parameters able to track the process, from the inception of early nucle
Externí odkaz:
http://arxiv.org/abs/2301.09539
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
Autor:
Mecocci, Samanta1 (AUTHOR), Pietrucci, Daniele2 (AUTHOR), Milanesi, Marco2 (AUTHOR), Capomaccio, Stefano1 (AUTHOR), Pascucci, Luisa1 (AUTHOR), Evangelista, Chiara2 (AUTHOR), Basiricò, Loredana3 (AUTHOR), Bernabucci, Umberto3 (AUTHOR), Chillemi, Giovanni2,4 (AUTHOR) gchillemi@unitus.it, Cappelli, Katia1 (AUTHOR)
Publikováno v:
Scientific Reports. 8/4/2024, Vol. 14 Issue 1, p1-19. 19p.
Decreased circulating IPA levels identify subjects with metabolic comorbidities: A multi-omics study
Autor:
Marta Ballanti, Lorenzo Antonetti, Maria Mavilio, Viviana Casagrande, Alessandro Moscatelli, Daniele Pietrucci, Adelaide Teofani, Chiara Internò, Marina Cardellini, Omero Paoluzi, Giovanni Monteleone, Philippe Lefebvre, Bart Staels, Geltrude Mingrone, Rossella Menghini, Massimo Federici
Publikováno v:
Pharmacological Research, Vol 204, Iss , Pp 107207- (2024)
In recent years several experimental observations demonstrated that the gut microbiome plays a role in regulating positively or negatively metabolic homeostasis. Indole-3-propionic acid (IPA), a Tryptophan catabolic product mainly produced by C. Spor
Externí odkaz:
https://doaj.org/article/74ef1f580f484ed68ef7b21191804213
Autor:
Vroylandt, Hadrien, Goudenège, Ludovic, Monmarché, Pierre, Pietrucci, Fabio, Rotenberg, Benjamin
We introduce a new method to accurately and efficiently estimate the effective dynamics of collective variables in molecular simulations. Such reduced dynamics play an essential role in the study of a broad class of processes, ranging from chemical r
Externí odkaz:
http://arxiv.org/abs/2110.04246
Transition rates, survival probabilities, and quality of bias from time-dependent biased simulations
Autor:
Palacio-Rodriguez, Karen, Vroylandt, Hadrien, Stelzl, Lukas S., Pietrucci, Fabio, Hummer, Gerhard, Cossio, Pilar
Simulations with an adaptive time-dependent bias, such as metadynamics, enable an efficient exploration of the conformational space of a system. However, the dynamic information of the system is altered by the bias. With infrequent metadynamics it is
Externí odkaz:
http://arxiv.org/abs/2109.11360