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Page 1
Sequence-Dependent Properties of the RNA Duplex.
Battistini F, Sala A, Hospital A, Orozco M. Battistini F, et al. Among authors: hospital a. J Chem Inf Model. 2023 Aug 28;63(16):5259-5271. doi: 10.1021/acs.jcim.3c00741. Epub 2023 Aug 14. J Chem Inf Model. 2023. PMID: 37577978
Molecular dynamics simulations: advances and applications.
Hospital A, Goñi JR, Orozco M, Gelpí JL. Hospital A, et al. Adv Appl Bioinform Chem. 2015 Nov 19;8:37-47. doi: 10.2147/AABC.S70333. eCollection 2015. Adv Appl Bioinform Chem. 2015. PMID: 26604800 Free PMC article. Review.
MD-DATA: the legacy of the ABC Consortium.
Hospital A, Orozco M. Hospital A, et al. Biophys Rev. 2024 May 7;16(3):269-271. doi: 10.1007/s12551-024-01197-3. eCollection 2024 Jun. Biophys Rev. 2024. PMID: 39099843 Free PMC article.
Sequence-dependent structural properties of B-DNA: what have we learned in 40 years?
da Rosa G, Grille L, Calzada V, Ahmad K, Arcon JP, Battistini F, Bayarri G, Bishop T, Carloni P, Cheatham Iii T, Collepardo-Guevara R, Czub J, Espinosa JR, Galindo-Murillo R, Harris SA, Hospital A, Laughton C, Maddocks JH, Noy A, Orozco M, Pasi M, Pérez A, Petkevičiūtė-Gerlach D, Sharma R, Sun R, Dans PD. da Rosa G, et al. Among authors: hospital a. Biophys Rev. 2021 Nov 13;13(6):995-1005. doi: 10.1007/s12551-021-00893-8. eCollection 2021 Dec. Biophys Rev. 2021. PMID: 35059023 Free PMC article. Review.
Long-timescale dynamics of the Drew-Dickerson dodecamer.
Dans PD, Danilāne L, Ivani I, Dršata T, Lankaš F, Hospital A, Walther J, Pujagut RI, Battistini F, Gelpí JL, Lavery R, Orozco M. Dans PD, et al. Among authors: hospital a. Nucleic Acids Res. 2016 May 19;44(9):4052-66. doi: 10.1093/nar/gkw264. Epub 2016 Apr 15. Nucleic Acids Res. 2016. PMID: 27084952 Free PMC article.
Parmbsc1: a refined force field for DNA simulations.
Ivani I, Dans PD, Noy A, Pérez A, Faustino I, Hospital A, Walther J, Andrio P, Goñi R, Balaceanu A, Portella G, Battistini F, Gelpí JL, González C, Vendruscolo M, Laughton CA, Harris SA, Case DA, Orozco M. Ivani I, et al. Among authors: hospital a. Nat Methods. 2016 Jan;13(1):55-8. doi: 10.1038/nmeth.3658. Epub 2015 Nov 16. Nat Methods. 2016. PMID: 26569599 Free PMC article.
How accurate are accurate force-fields for B-DNA?
Dans PD, Ivani I, Hospital A, Portella G, González C, Orozco M. Dans PD, et al. Among authors: hospital a. Nucleic Acids Res. 2017 Apr 20;45(7):4217-4230. doi: 10.1093/nar/gkw1355. Nucleic Acids Res. 2017. PMID: 28088759 Free PMC article.
65 results