Pre-Exascale HPC- approaches for Molecular Dynamics simulations. Covid-19 research: a use case.
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Author(s):
Milosz Wieczor, Vito Genna, Juan Aranda, Rosa M. Badia, Josep Lluis Gelpi, Vytautas Gapsys, Bert L. de Groot, Erik Lindahl, Martí Municoy, Adam Hospital and Modesto Orozco
Published in:
WIRES Computational Molecular Science, 2022, ISSN 1759-0884
Publisher:
Wiley
DOI:
10.1002/wcms.1622
The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation
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Author(s):
Tiziana Ginex, Clara Marco-Marín, Miłosz Wieczór, Carlos P. Mata, James Krieger, Maria Luisa López-Redondo, Clara Francés-Gómez, Paula Ruiz-Rodriguez, Roberto Melero, Carlos Óscar Sánchez-Sorzano, Marta Martínez, Nadine Gougeard, Alicia Forcada-Nadal, Sara Zamora-Caballero, Roberto Gozalbo-Rovira, Carla Sanz-Frasquet, Jeronimo Bravo, Vicente Rubio, Alberto Marina, The IBV-Covid19-Pipeline
Published in:
PLOS Pathogens, 2022, ISSN 1553-7366
Publisher:
Public Library of Science
DOI:
10.1371/journal.ppat.1010631