Výsledky vyhledávání - "Limongelli P"

Report

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

Zobrazit plný text záznamu

Report

HEroBM: a deep equivariant graph neural network for universal backmapping from coarse-grained to all-atom representations

Autor: Angioletti, Daniele, Raniolo, Stefano, Limongelli, Vittorio

Molecular simulations have assumed a paramount role in the fields of chemistry, biology, and material sciences, being able to capture the intricate dynamic properties of systems. Within this realm, coarse-grained (CG) techniques have emerged as inval

Externí odkaz: http://arxiv.org/abs/2404.16911

Zobrazit plný text záznamu

Akademický článek

Resistive index of central retinal artery, aortic arterial stiffness and OCTA correlated parameters in the early stage of fabry disease

Autor: Michele Rinaldi, Flavia Chiosi, Maria Laura Passaro, Francesco Natale, Alessia Riccardo, Luca D’Andrea, Martina Caiazza, Marta Rubino, Emanuele Monda, Gilda Cennamo, Francesco Calabrò, Giuseppe Limongelli, Ciro Costagliola

Publikováno v: Scientific Reports, Vol 14, Iss 1, Pp 1-10 (2024)

Abstract This study aimed to evaluate the impact of Fabry disease (FD) on retinal microvasculature using optical coherence tomography angiography (OCTA), arterial stiffness, and the resistive index (RI) of the central retinal artery (CRA) in early di

Externí odkaz: https://doaj.org/article/96b0aaf653bd4ae78f1232f689b26f53

Zobrazit plný text záznamu

Plný text ve formátu HTML

Report

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

Zobrazit plný text záznamu

Akademický článek

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

Zobrazit plný text záznamu

Akademický článek

Post-SARS-CoV-2 infection and post-vaccine-related neurological complications share clinical features and the same positivity to anti-ACE2 antibodies

Autor: Margherita Bellucci, Federica Maria Bozzano, Chiara Castellano, Giampaola Pesce, Alessandro Beronio, Alireza Hajabbas Farshchi, Alessandro Limongelli, Antonio Uccelli, Luana Benedetti, Andrea De Maria

Publikováno v: Frontiers in Immunology, Vol 15 (2024)

IntroductionA potential overlap in symptoms between post-acute COVID-19 syndrome and post-COVID-19 vaccination syndrome has been noted. We report a paired description of patients presenting with similar manifestations involving the central (CNS) or p

Externí odkaz: https://doaj.org/article/bd0f914f1b9a4e09859ee3b128ef6618

Zobrazit plný text záznamu

Akademický článek

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

Zobrazit plný text záznamu

Report

Transferring Chemical and Energetic Knowledge Between Molecular Systems with Machine Learning

Autor: Heydari, Sajjad, Raniolo, Stefano, Livi, Lorenzo, Limongelli, Vittorio

Predicting structural and energetic properties of a molecular system is one of the fundamental tasks in molecular simulations, and it has use cases in chemistry, biology, and medicine. In the past decade, the advent of machine learning algorithms has

Externí odkaz: http://arxiv.org/abs/2205.03339

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání