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Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case.
Wieczór M, Genna V, Aranda J, Badia RM, Gelpí JL, Gapsys V, de Groot BL, Lindahl E, Municoy M, Hospital A, Orozco M. Wieczór M, et al. Among authors: hospital a. Wiley Interdiscip Rev Comput Mol Sci. 2022 May 30:e1622. doi: 10.1002/wcms.1622. Online ahead of print. Wiley Interdiscip Rev Comput Mol Sci. 2022. PMID: 35935573 Free PMC article.
A consensus view of protein dynamics.
Rueda M, Ferrer-Costa C, Meyer T, Pérez A, Camps J, Hospital A, Gelpí JL, Orozco M. Rueda M, et al. Among authors: hospital a. Proc Natl Acad Sci U S A. 2007 Jan 16;104(3):796-801. doi: 10.1073/pnas.0605534104. Epub 2007 Jan 10. Proc Natl Acad Sci U S A. 2007. PMID: 17215349 Free PMC article.
FlexServ: an integrated tool for the analysis of protein flexibility.
Camps J, Carrillo O, Emperador A, Orellana L, Hospital A, Rueda M, Cicin-Sain D, D'Abramo M, Gelpí JL, Orozco M. Camps J, et al. Among authors: hospital a. Bioinformatics. 2009 Jul 1;25(13):1709-10. doi: 10.1093/bioinformatics/btp304. Epub 2009 May 7. Bioinformatics. 2009. PMID: 19429600
NAFlex: a web server for the study of nucleic acid flexibility.
Hospital A, Faustino I, Collepardo-Guevara R, González C, Gelpí JL, Orozco M. Hospital A, et al. Nucleic Acids Res. 2013 Jul;41(Web Server issue):W47-55. doi: 10.1093/nar/gkt378. Epub 2013 May 17. Nucleic Acids Res. 2013. PMID: 23685436 Free PMC article.
67 results