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Inverse Conformational Selection in Lipid-Protein Binding.
Bacle A, Buslaev P, Garcia-Fandino R, Favela-Rosales F, Mendes Ferreira T, Fuchs PFJ, Gushchin I, Javanainen M, Kiirikki AM, Madsen JJ, Melcr J, Milán Rodríguez P, Miettinen MS, Ollila OHS, Papadopoulos CG, Peón A, Piggot TJ, Piñeiro Á, Virtanen SI. Bacle A, et al. Among authors: melcr j. J Am Chem Soc. 2021 Sep 1;143(34):13701-13709. doi: 10.1021/jacs.1c05549. Epub 2021 Aug 16. J Am Chem Soc. 2021. PMID: 34465095 Free article.
Molecular electrometer and binding of cations to phospholipid bilayers.
Catte A, Girych M, Javanainen M, Loison C, Melcr J, Miettinen MS, Monticelli L, Määttä J, Oganesyan VS, Ollila OH, Tynkkynen J, Vilov S. Catte A, et al. Among authors: melcr j. Phys Chem Chem Phys. 2016 Nov 30;18(47):32560-32569. doi: 10.1039/c6cp04883h. Phys Chem Chem Phys. 2016. PMID: 27874109
Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers.
Antila H, Buslaev P, Favela-Rosales F, Ferreira TM, Gushchin I, Javanainen M, Kav B, Madsen JJ, Melcr J, Miettinen MS, Määttä J, Nencini R, Ollila OHS, Piggot TJ. Antila H, et al. Among authors: melcr j. J Phys Chem B. 2019 Oct 31;123(43):9066-9079. doi: 10.1021/acs.jpcb.9b06091. Epub 2019 Oct 21. J Phys Chem B. 2019. PMID: 31574222
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: melcr 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
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: melcr 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.
16 results