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Towards design of drugs and delivery systems with the Martini coarse-grained model.
QRB Discov. 2022 Oct 12;3:e19. doi: 10.1017/qrd.2022.16. eCollection 2022.
QRB Discov. 2022.
PMID: 37529288
Free PMC article.
Review.
Lipid Modulation of a Class B GPCR: Elucidating the Modulatory Role of PI(4,5)P2 Lipids.
Kjølbye LR, Sørensen L, Yan J, Berglund NA, Ferkinghoff-Borg J, Robinson CV, Schiøtt B.
Kjølbye LR, et al.
J Chem Inf Model. 2022 Dec 26;62(24):6788-6802. doi: 10.1021/acs.jcim.2c00635. Epub 2022 Aug 29.
J Chem Inf Model. 2022.
PMID: 36036575
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General Protocol for Constructing Molecular Models of Nanodiscs.
Kjølbye LR, De Maria L, Wassenaar TA, Abdizadeh H, Marrink SJ, Ferkinghoff-Borg J, Schiøtt B.
Kjølbye LR, et al.
J Chem Inf Model. 2021 Jun 28;61(6):2869-2883. doi: 10.1021/acs.jcim.1c00157. Epub 2021 May 28.
J Chem Inf Model. 2021.
PMID: 34048229
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Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations.
Bengtsen T, Holm VL, Kjølbye LR, Midtgaard SR, Johansen NT, Tesei G, Bottaro S, Schiøtt B, Arleth L, Lindorff-Larsen K.
Bengtsen T, et al. Among authors: kjolbye lr.
Elife. 2020 Jul 30;9:e56518. doi: 10.7554/eLife.56518.
Elife. 2020.
PMID: 32729831
Free PMC article.
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Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation.
Kjølbye LR, Laustsen A, Vestergaard M, Periole X, De Maria L, Svendsen A, Coletta A, Schiøtt B.
Kjølbye LR, et al.
J Chem Inf Model. 2019 May 28;59(5):1977-1987. doi: 10.1021/acs.jcim.8b00857. Epub 2019 Mar 19.
J Chem Inf Model. 2019.
PMID: 30844270
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How a short pore forming peptide spans the lipid membrane.
Vestergaard M, Christensen M, Hansen SK, Grønvall D, Kjølbye LR, Vosegaard T, Schiøtt B.
Vestergaard M, et al. Among authors: kjolbye lr.
Biointerphases. 2017 May 5;12(2):02D405. doi: 10.1116/1.4982642.
Biointerphases. 2017.
PMID: 28476091
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