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OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
ArXiv [Preprint]. 2023 Nov 29:arXiv:2310.03121v2.
ArXiv. 2023.
PMID: 37986730
Free PMC article.
Updated.
Preprint.
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials.
Eastman P, Galvelis R, Peláez RP, Abreu CRA, Farr SE, Gallicchio E, Gorenko A, Henry MM, Hu F, Huang J, Krämer A, Michel J, Mitchell JA, Pande VS, Rodrigues JP, Rodriguez-Guerra J, Simmonett AC, Singh S, Swails J, Turner P, Wang Y, Zhang I, Chodera JD, De Fabritiis G, Markland TE.
Eastman P, et al. Among authors: farr se.
J Phys Chem B. 2024 Jan 11;128(1):109-116. doi: 10.1021/acs.jpcb.3c06662. Epub 2023 Dec 28.
J Phys Chem B. 2024.
PMID: 38154096
Free PMC article.
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Nucleosome plasticity is a critical element of chromatin liquid-liquid phase separation and multivalent nucleosome interactions.
Farr SE, Woods EJ, Joseph JA, Garaizar A, Collepardo-Guevara R.
Farr SE, et al.
Nat Commun. 2021 May 17;12(1):2883. doi: 10.1038/s41467-021-23090-3.
Nat Commun. 2021.
PMID: 34001913
Free PMC article.
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DNA binds to a specific site of the adhesive blood-protein von Willebrand factor guided by electrostatic interactions.
Sandoval-Pérez A, Berger RML, Garaizar A, Farr SE, Brehm MA, König G, Schneider SW, Collepardo-Guevara R, Huck V, Rädler JO, Aponte-Santamaría C.
Sandoval-Pérez A, et al. Among authors: farr se.
Nucleic Acids Res. 2020 Nov 18;48(20):11812-11813. doi: 10.1093/nar/gkaa988.
Nucleic Acids Res. 2020.
PMID: 33091113
Free PMC article.
No abstract available.
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DNA binds to a specific site of the adhesive blood-protein von Willebrand factor guided by electrostatic interactions.
Sandoval-Pérez A, Berger RML, Garaizar A, Farr SE, Brehm MA, König G, Schneider SW, Collepardo-Guevara R, Huck V, Rädler JO, Aponte-Santamaría C.
Sandoval-Pérez A, et al. Among authors: farr se.
Nucleic Acids Res. 2020 Jul 27;48(13):7333-7344. doi: 10.1093/nar/gkaa466.
Nucleic Acids Res. 2020.
PMID: 32496552
Free PMC article.
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Emergence of chromatin hierarchical loops from protein disorder and nucleosome asymmetry.
Sridhar A, Farr SE, Portella G, Schlick T, Orozco M, Collepardo-Guevara R.
Sridhar A, et al. Among authors: farr se.
Proc Natl Acad Sci U S A. 2020 Mar 31;117(13):7216-7224. doi: 10.1073/pnas.1910044117. Epub 2020 Mar 12.
Proc Natl Acad Sci U S A. 2020.
PMID: 32165536
Free PMC article.
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Gemcitabine: Selective cytotoxicity, induction of inflammation and effects on urothelial function.
Farr SE, Chess-Williams R, McDermott CM.
Farr SE, et al.
Toxicol Appl Pharmacol. 2017 Feb 1;316:1-9. doi: 10.1016/j.taap.2016.12.011. Epub 2016 Dec 19.
Toxicol Appl Pharmacol. 2017.
PMID: 28007550
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Alterations in acetylcholine, PGE2 and IL6 release from urothelial cells following treatment with pyocyanin and lipopolysaccharide.
McDermott C, Chess-Williams R, Mills KA, Kang SH, Farr SE, Grant GD, Perkins AV, Davey AK, Anoopkumar-Dukie S.
McDermott C, et al. Among authors: farr se.
Toxicol In Vitro. 2013 Sep;27(6):1693-8. doi: 10.1016/j.tiv.2013.04.015. Epub 2013 May 9.
Toxicol In Vitro. 2013.
PMID: 23665401
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