Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers

Autor: Jesper J. Madsen, Pavel Buslaev, Josef Melcr, Batuhan Kav, Fernando Favela-Rosales, Jukka Määttä, Markus S. Miettinen, O. H. Samuli Ollila, Tiago Mendes Ferreira, Matti Javanainen, Hanne S. Antila, Ricky Nencini, Ivan Gushchin, Thomas J. Piggot

Publikováno v: Journal of Physical Chemistry B, 123(43), 9066-9079. AMER CHEMICAL SOC

Phosphatidylserine (PS) is a negatively charged lipid type commonly found in eukaryotic membranes, where it interacts with proteins via nonspecific electrostatic interactions as well as via specific binding. Moreover, in the presence of calcium ions,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7df121a8ec2484c4ce66e6794af1d1ac
https://doi.org/10.1021/acs.jpcb.9b06091

Simulations Study of Single-Component and Mixed n-Alkyl-PEG Micelles

Autor: Jukka Määttä, Maisa Vuorte, Maria Sammalkorpi

Publikováno v: The journal of physical chemistry. B. 122(18)

Here, we study one component and mixed n-alkyl-poly(ethylene oxide) (CmEn) micelles with varying poly(ethylene oxide) (PEG) chain lengths n using coarse-grained molecular simulations. These non-ionic alkyl-PEG surfactants and their aggregates are wid

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ac50fd9fcd743932ced90fdf4aea059
https://pubmed.ncbi.nlm.nih.gov/29664641

Intrinsic α-helical and β-sheet conformational preferences: A computational case study of alanine

Autor: Jukka Määttä, Lynne Regan, Maria Sammalkorpi, Alice Qinhua Zhou, Corey S. O'Hern, Diego Caballero

Publikováno v: Protein Science. 23:970-980

A fundamental question in protein science is what is the intrinsic propensity for an amino acid to be in an a-helix, b-sheet, or other backbone dihedral angle (/-w) conformation. This question has been hotly debated for many years because including a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9bbc48b26ba5c98c563a9a507f01bb31
https://doi.org/10.1002/pro.2481

Carbon nanotube bundling: influence on layer-by-layer assembly and antimicrobial activity

Autor: Emmanuel Pauthe, Jukka Määttä, Seyma Aslan, Maria Sammalkorpi, Menachem Elimelech, Jesse P. M. Goodman, Berat Z. Haznedaroglu, Paul R. Van Tassel, Lisa D. Pfefferle

Publikováno v: SOFT MATTER. 9:2136-2144

Antimicrobial surfaces are needed for many health care applications. Single walled carbon nanotubes (SWNT) have shown promise as antimicrobial agents, but important questions persist concerning the effects of tube bundling, a common phenomenon owing

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a797ecbcac4e7b75d21eacb88450a697
http://juuli.fi/Record/0337617313

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Autor: Waldemar Kulig, Alexander P. Lyubartsev, Luca Monticelli, Matej Kanduč, Patrick F.J. Fuchs, Hubert Santuz, Jukka Määttä, Joona Tynkkynen, Antti Lamberg, Fernando Favela-Rosales, Marius Retegan, Tomasz Róg, Matti Javanainen, Claire Loison, O. H. Samuli Ollila, Markus S. Miettinen, Alexandru Botan

Publikováno v: Journal of Physical Chemistry B
Journal of Physical Chemistry B, American Chemical Society, 2015, 119 (49), pp.15075-15088. ⟨10.1021/acs.jpcb.5b04878⟩
The Journal of Physical Chemistry. B

Phospholipids are essential building blocks of biological membranes. Despite a vast amount of very accurate experimental data, the atomistic resolution structures sampled by the glycerol backbone and choline headgroup in phoshatidylcholine bilayers a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43eed8340fc2af510fc78afeb3b58a6e
https://refubium.fu-berlin.de/handle/fub188/16464