Marrink SJ - Search Results

1

Exploring the Ligand Binding and Conformational Dynamics of the Substrate-Binding Domain 1 of the ABC Transporter GlnPQ.

Nemchinova M, Schuurman-Wolters GK, Whittaker JJ, Arkhipova V, Marrink SJ, Poolman B, Guskov A. Nemchinova M, et al. Among authors: marrink sj. J Phys Chem B. 2024 Aug 15;128(32):7822-7832. doi: 10.1021/acs.jpcb.4c02662. Epub 2024 Aug 1. J Phys Chem B. 2024. PMID: 39090964 Free PMC article.

2

pH-Dependent Conformational Switch Impacts Stability of the PsbS Dimer.

Chiariello MG, Grünewald F, Zarmiento-Garcia R, Marrink SJ. Chiariello MG, et al. Among authors: marrink sj. J Phys Chem Lett. 2023 Feb 2;14(4):905-911. doi: 10.1021/acs.jpclett.2c03760. Epub 2023 Jan 20. J Phys Chem Lett. 2023. PMID: 36662680 Free PMC article.

3

Probing the stability and interdomain interactions in the ABC transporter OpuA using single-molecule optical tweezers.

van der Sleen L, Stevens JA, Marrink SJ, Poolman B, Tych K. van der Sleen L, et al. Among authors: marrink sj. Cell Rep. 2024 Apr 23;43(4):114110. doi: 10.1016/j.celrep.2024.114110. Epub 2024 Apr 11. Cell Rep. 2024. PMID: 38607912 Free article.

4

Strategies for Enhancing the Dielectric Constant of Organic Materials.

Sami S, Alessandri R, W Wijaya JB, Grünewald F, de Vries AH, Marrink SJ, Broer R, Havenith RWA. Sami S, et al. Among authors: marrink sj. J Phys Chem C Nanomater Interfaces. 2022 Nov 17;126(45):19462-19469. doi: 10.1021/acs.jpcc.2c05682. Epub 2022 Oct 10. J Phys Chem C Nanomater Interfaces. 2022. PMID: 36425002 Free PMC article.

5

Molecular dynamics simulation of an entire cell.

Stevens JA, Grünewald F, van Tilburg PAM, König M, Gilbert BR, Brier TA, Thornburg ZR, Luthey-Schulten Z, Marrink SJ. Stevens JA, et al. Among authors: marrink sj. Front Chem. 2023 Jan 18;11:1106495. doi: 10.3389/fchem.2023.1106495. eCollection 2023. Front Chem. 2023. PMID: 36742032 Free PMC article.

6

Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations.

Brasnett C, Kiani A, Sami S, Otto S, Marrink SJ. Brasnett C, et al. Among authors: marrink sj. Commun Chem. 2024 Jul 4;7(1):151. doi: 10.1038/s42004-024-01234-y. Commun Chem. 2024. PMID: 38961263 Free PMC article.

7

Molecular basis of PIP2-dependent conformational switching of phosphorylated CD44 in binding FERM.

Ren M, Zhao L, Ma Z, An H, Marrink SJ, Sun F. Ren M, et al. Among authors: marrink sj. Biophys J. 2023 Jul 11;122(13):2675-2685. doi: 10.1016/j.bpj.2023.05.021. Epub 2023 May 22. Biophys J. 2023. PMID: 37218130 Free PMC article.

8

Computational prediction of ω-transaminase selectivity by deep learning analysis of molecular dynamics trajectories.

Ramírez-Palacios C, Marrink SJ. Ramírez-Palacios C, et al. Among authors: marrink sj. QRB Discov. 2022 Dec 12;4:e1. doi: 10.1017/qrd.2022.22. eCollection 2023. QRB Discov. 2022. PMID: 37529033 Free PMC article.

9

Bartender: Martini 3 Bonded Terms via Quantum Mechanics-Based Molecular Dynamics.

Pereira GP, Alessandri R, Domínguez M, Araya-Osorio R, Grünewald L, Borges-Araújo L, Wu S, Marrink SJ, Souza PCT, Mera-Adasme R. Pereira GP, et al. Among authors: marrink sj. J Chem Theory Comput. 2024 Jul 9;20(13):5763-5773. doi: 10.1021/acs.jctc.4c00275. Epub 2024 Jun 26. J Chem Theory Comput. 2024. PMID: 38924075

10

Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2.

Borowska AM, Chiariello MG, Garaeva AA, Rheinberger J, Marrink SJ, Paulino C, Slotboom DJ. Borowska AM, et al. Among authors: marrink sj. Nat Commun. 2024 Aug 3;15(1):6570. doi: 10.1038/s41467-024-50888-8. Nat Commun. 2024. PMID: 39095408 Free PMC article.

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