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Sharing Data from Molecular Simulations.
Abraham M, Apostolov R, Barnoud J, Bauer P, Blau C, Bonvin AMJJ, Chavent M, Chodera J, Čondić-Jurkić K, Delemotte L, Grubmüller H, Howard RJ, Jordan EJ, Lindahl E, Ollila OHS, Selent J, Smith DGA, Stansfeld PJ, Tiemann JKS, Trellet M, Woods C, Zhmurov A. Abraham M, et al. Among authors: barnoud j. J Chem Inf Model. 2019 Oct 28;59(10):4093-4099. doi: 10.1021/acs.jcim.9b00665. Epub 2019 Oct 11. J Chem Inf Model. 2019. PMID: 31525920
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
Alcohol Interactions with Lipid Bilayers.
Kondela T, Gallová J, Hauß T, Barnoud J, Marrink SJ, Kučerka N. Kondela T, et al. Among authors: barnoud j. Molecules. 2017 Nov 28;22(12):2078. doi: 10.3390/molecules22122078. Molecules. 2017. PMID: 29182554 Free PMC article.
26 results