De Maria L - Search Results

1

Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex.

Weerakoon D, Carbajo RJ, De Maria L, Tyrchan C, Zhao H. Weerakoon D, et al. Among authors: de maria l. J Chem Inf Model. 2022 Jan 24;62(2):340-349. doi: 10.1021/acs.jcim.1c01036. Epub 2022 Jan 12. J Chem Inf Model. 2022. PMID: 35018781

2

Membrane Permeability in Cyclic Peptides is Modulated by Core Conformations.

Cipcigan F, Smith P, Crain J, Hogner A, De Maria L, Llinas A, Ratkova E. Cipcigan F, et al. Among authors: de maria l. J Chem Inf Model. 2021 Jan 25;61(1):263-269. doi: 10.1021/acs.jcim.0c00803. Epub 2020 Dec 22. J Chem Inf Model. 2021. PMID: 33350828

3

Virtual Screening Expands the Non-Natural Amino Acid Palette for Peptide Optimization.

Amarasinghe KN, De Maria L, Tyrchan C, Eriksson LA, Sadowski J, Petrović D. Amarasinghe KN, et al. Among authors: de maria l. J Chem Inf Model. 2022 Jun 27;62(12):2999-3007. doi: 10.1021/acs.jcim.2c00193. Epub 2022 Jun 14. J Chem Inf Model. 2022. PMID: 35699524

4

Machine learning/molecular dynamic protein structure prediction approach to investigate the protein conformational ensemble.

Audagnotto M, Czechtizky W, De Maria L, Käck H, Papoian G, Tornberg L, Tyrchan C, Ulander J. Audagnotto M, et al. Among authors: de maria l. Sci Rep. 2022 Jun 15;12(1):10018. doi: 10.1038/s41598-022-13714-z. Sci Rep. 2022. PMID: 35705565 Free PMC article.

5

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. Among authors: de maria l. 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

6

How well does molecular simulation reproduce environment-specific conformations of the intrinsically disordered peptides PLP, TP2 and ONEG?

Reid LM, Guzzetti I, Svensson T, Carlsson AC, Su W, Leek T, von Sydow L, Czechtizky W, Miljak M, Verma C, De Maria L, Essex JW. Reid LM, et al. Among authors: de maria l. Chem Sci. 2022 Jan 20;13(7):1957-1971. doi: 10.1039/d1sc03496k. eCollection 2022 Feb 16. Chem Sci. 2022. PMID: 35308859 Free PMC article.

7

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. Among authors: de maria l. 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

8

Mechanism of Action of Flavin-Dependent Halogenases.

Barker RD, Yu Y, De Maria L, Johannissen LO, Scrutton NS. Barker RD, et al. Among authors: de maria l. ACS Catal. 2022 Dec 16;12(24):15352-15360. doi: 10.1021/acscatal.2c05231. Epub 2022 Nov 30. ACS Catal. 2022. PMID: 36570077 Free PMC article.

9

Glucocorticoid receptor Thr524 phosphorylation by MINK1 induces interactions with 14-3-3 protein regulators.

Munier CC, De Maria L, Edman K, Gunnarsson A, Longo M, MacKintosh C, Patel S, Snijder A, Wissler L, Brunsveld L, Ottmann C, Perry MWD. Munier CC, et al. Among authors: de maria l. J Biol Chem. 2021 Jan-Jun;296:100551. doi: 10.1016/j.jbc.2021.100551. Epub 2021 Mar 17. J Biol Chem. 2021. PMID: 33744286 Free PMC article.

10

Automated high-throughput in vitro assays to identify metabolic hotspots and protease stability of structurally diverse, pharmacologically active peptides for inhalation.

Wesche F, De Maria L, Leek T, Narjes F, Bird J, Su W, Czechtizky W. Wesche F, et al. Among authors: de maria l. J Pharm Biomed Anal. 2022 Mar 20;211:114518. doi: 10.1016/j.jpba.2021.114518. Epub 2021 Dec 11. J Pharm Biomed Anal. 2022. PMID: 35124452

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