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Candida antarctica lipase B performance in organic solvent at varying water activities studied by molecular dynamics simulations.
Comput Struct Biotechnol J. 2023 Oct 31;21:5451-5462. doi: 10.1016/j.csbj.2023.10.049. eCollection 2023.
Comput Struct Biotechnol J. 2023.
PMID: 38022691
Free PMC article.
Nirmatrelvir-resistant SARS-CoV-2 variants with high fitness in an infectious cell culture system.
Zhou Y, Gammeltoft KA, Ryberg LA, Pham LV, Tjørnelund HD, Binderup A, Duarte Hernandez CR, Fernandez-Antunez C, Offersgaard A, Fahnøe U, Peters GHJ, Ramirez S, Bukh J, Gottwein JM.
Zhou Y, et al. Among authors: tjornelund hd.
Sci Adv. 2022 Dec 21;8(51):eadd7197. doi: 10.1126/sciadv.add7197. Epub 2022 Dec 21.
Sci Adv. 2022.
PMID: 36542720
Free PMC article.
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Water-Intake and Water-Molecule Paths to the Active Site of Secretory Phospholipase A2 Studied Using MD Simulations and the Tracking Tool AQUA-DUCT.
Tjørnelund HD, Madsen JJ, Peters GHJ.
Tjørnelund HD, et al.
J Phys Chem B. 2020 Mar 12;124(10):1881-1891. doi: 10.1021/acs.jpcb.9b10837. Epub 2020 Mar 3.
J Phys Chem B. 2020.
PMID: 32064878
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