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Page 1
Hydrophobic compounds reshape membrane domains.
Barnoud J, Rossi G, Marrink SJ, Monticelli L. Barnoud J, et al. PLoS Comput Biol. 2014 Oct 9;10(10):e1003873. doi: 10.1371/journal.pcbi.1003873. eCollection 2014 Oct. PLoS Comput Biol. 2014. PMID: 25299598 Free PMC article.
Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field.
Khan HM, Souza PCT, Thallmair S, Barnoud J, de Vries AH, Marrink SJ, Reuter N. Khan HM, et al. Among authors: barnoud j. J Chem Theory Comput. 2020 Apr 14;16(4):2550-2560. doi: 10.1021/acs.jctc.9b01194. Epub 2020 Mar 9. J Chem Theory Comput. 2020. PMID: 32096995 Free PMC article.
Dual Resolution Membrane Simulations Using Virtual Sites.
Liu Y, De Vries AH, Barnoud J, Pezeshkian W, Melcr J, Marrink SJ. Liu Y, et al. Among authors: barnoud j. J Phys Chem B. 2020 May 14;124(19):3944-3953. doi: 10.1021/acs.jpcb.0c01842. Epub 2020 May 1. J Phys Chem B. 2020. PMID: 32314586 Free PMC article.
Titratable Martini model for constant pH simulations.
Grünewald F, Souza PCT, Abdizadeh H, Barnoud J, de Vries AH, Marrink SJ. Grünewald F, et al. Among authors: barnoud j. J Chem Phys. 2020 Jul 14;153(2):024118. doi: 10.1063/5.0014258. J Chem Phys. 2020. PMID: 32668918
Martini 3: a general purpose force field for coarse-grained molecular dynamics.
Souza PCT, Alessandri R, Barnoud J, Thallmair S, Faustino I, Grünewald F, Patmanidis I, Abdizadeh H, Bruininks BMH, Wassenaar TA, Kroon PC, Melcr J, Nieto V, Corradi V, Khan HM, Domański J, Javanainen M, Martinez-Seara H, Reuter N, Best RB, Vattulainen I, Monticelli L, Periole X, Tieleman DP, de Vries AH, Marrink SJ. Souza PCT, et al. Among authors: barnoud j. Nat Methods. 2021 Apr;18(4):382-388. doi: 10.1038/s41592-021-01098-3. Epub 2021 Mar 29. Nat Methods. 2021. PMID: 33782607
Martini 3 Coarse-Grained Force Field for Cholesterol.
Borges-Araújo L, Borges-Araújo AC, Ozturk TN, Ramirez-Echemendia DP, Fábián B, Carpenter TS, Thallmair S, Barnoud J, Ingólfsson HI, Hummer G, Tieleman DP, Marrink SJ, Souza PCT, Melo MN. Borges-Araújo L, et al. Among authors: barnoud j. J Chem Theory Comput. 2023 Oct 24;19(20):7387-7404. doi: 10.1021/acs.jctc.3c00547. Epub 2023 Oct 5. J Chem Theory Comput. 2023. PMID: 37796943
Interaction of C70 fullerene with the Kv1.2 potassium channel.
Monticelli L, Barnoud J, Orlowski A, Vattulainen I. Monticelli L, et al. Among authors: barnoud j. Phys Chem Chem Phys. 2012 Sep 28;14(36):12526-33. doi: 10.1039/c2cp41117b. Phys Chem Chem Phys. 2012. PMID: 23087916
26 results