Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Joona, Tynkkynen"'
Autor:
Moutusi Manna, Miia Niemelä, Joona Tynkkynen, Matti Javanainen, Waldemar Kulig, Daniel J Müller, Tomasz Rog, Ilpo Vattulainen
Publikováno v:
eLife, Vol 5 (2016)
There is evidence that lipids can be allosteric regulators of membrane protein structure and activation. However, there are no data showing how exactly the regulation emerges from specific lipid-protein interactions. Here we show in atomistic detail
Externí odkaz:
https://doaj.org/article/f446eda416414c6794c93f0ff48cdfd5
Autor:
Ilpo Vattulainen, Waldemar Kulig, Matti Javanainen, Daniel J. Müller, Tomasz Róg, Ulf Hensen, Joona Tynkkynen, Moutusi Manna
Publikováno v:
Manna, M, Kulig, W, Javanainen, M, Tynkkynen, J, Hensen, U, Muller, D J, Rog, T & Vattulainen, I 2015, ' How To Minimize Artifacts in Atomistic Simulations of Membrane Proteins, Whose Crystal Structure Is Heavily Engineered : β2-Adrenergic Receptor in the Spotlight ', Journal of Chemical Theory and Computation, vol. 11, no. 7, pp. 3432-3445 . https://doi.org/10.1021/acs.jctc.5b00070
Atomistic molecular dynamics (MD) simulations are used extensively to elucidate membrane protein properties. These simulations are based on three-dimensional protein structures that in turn are often based on crystallography. The protein structures r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df17a9eeccdb4f989a5f23adff72ebcf
https://doi.org/10.1021/acs.jctc.5b00070
https://doi.org/10.1021/acs.jctc.5b00070
Autor:
Ilpo Vattulainen, Daniel J. Müller, Matti Javanainen, Joona Tynkkynen, Moutusi Manna, Miia Niemelä, Waldemar Kulig, Tomasz Róg
Publikováno v:
eLife, Vol 5 (2016)
Manna, M, Niemelä, M, Tynkkynen, J, Javanainen, M, Kulig, W, Müller, D J, Róg, T & Vattulainen, I 2016, ' Mechanism of allosteric regulation of β 2-adrenergic receptor by cholesterol ', eLife, vol. 5, e18432 . https://doi.org/10.7554/eLife.18432
eLife, 5
Manna, M, Niemelä, M, Tynkkynen, J, Javanainen, M, Kulig, W, Müller, D J, Róg, T & Vattulainen, I 2016, ' Mechanism of allosteric regulation of β 2-adrenergic receptor by cholesterol ', eLife, vol. 5, e18432 . https://doi.org/10.7554/eLife.18432
eLife, 5
There is evidence that lipids can be allosteric regulators of membrane protein structure and activation. However, there are no data showing how exactly the regulation emerges from specific lipid-protein interactions. Here we show in atomistic detail
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d05a907145640f7b6e961699e386022
https://elifesciences.org/articles/18432
https://elifesciences.org/articles/18432
Autor:
Moutusi Manna, Tomasz Róg, Ulf Hensen, Waldemar Kulig, Matti Javanainen, Daniel J. Müller, Ilpo Vattulainen, Joona Tynkkynen
Publikováno v:
Biophysical Journal. 110(3)
G protein-coupled receptors (GPCRs) are versatile signaling proteins that mediate diverse cellular responses. Atomistic molecular dynamics (MD) simulations are widely used to elucidate the properties of GPCRs. These simulations are based on three-dim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e38f9c8a723fb74ee9d2ce121c4c3e6e
Autor:
Jukka Määttä, Markus S. Miettinen, Matti Javanainen, Sergey Vilov, Andrea Catte, Mykhailo Girych, Josef Melcr, Claire Loison, Joona Tynkkynen, Vasily S. Oganesyan, O. H. Samuli Ollila, Luca Monticelli
Publikováno v:
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18, pp.32560-32569. ⟨10.1039/c6cp04883h⟩
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18, pp.32560-32569. ⟨10.1039/c6cp04883h⟩
Despite the vast amount of experimental and theoretical studies on the binding affinity of cations - especially the biologically relevant Na(+) and Ca(2+) - for phospholipid bilayers, there is no consensus in the literature. Here we show that by inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d986243488155770b0fb6cbbf97b0c55
https://hdl.handle.net/11384/73144
https://hdl.handle.net/11384/73144
Autor:
Moutusi, Manna, Waldemar, Kulig, Matti, Javanainen, Joona, Tynkkynen, Ulf, Hensen, Daniel J, Müller, Tomasz, Rog, Ilpo, Vattulainen
Publikováno v:
Journal of chemical theory and computation. 11(7)
Atomistic molecular dynamics (MD) simulations are used extensively to elucidate membrane protein properties. These simulations are based on three-dimensional protein structures that in turn are often based on crystallography. The protein structures r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9704c4efffc29fde7ca7a0eba05a5a3a
https://pubmed.ncbi.nlm.nih.gov/26575777
https://pubmed.ncbi.nlm.nih.gov/26575777
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
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
https://refubium.fu-berlin.de/handle/fub188/16464
Autor:
Waldemar Kulig, Martin Hof, Agnieszka Olżyńska, Ilpo Vattulainen, Pavel Jungwirth, Piotr Jurkiewicz, Joona Tynkkynen, Tomasz Róg, Moutusi Manna, Matti Javanainen
Publikováno v:
Kulig, W, Jurkiewicz, P, Olzyńska, A, Tynkkynen, J, Javanainen, M, Manna, M, Rog, T, Hof, M, Vattulainen, I & Jungwirth, P 2015, ' Experimental determination and computational interpretation of biophysical properties of lipid bilayers enriched by cholesteryl hemisuccinate ', Biochimica et Biophysica Acta-Biomembranes, vol. 1848, no. 2, pp. 422-432 . https://doi.org/10.1016/j.bbamem.2014.10.032
Biochimica et Biophysica Acta (BBA)-Biomembranes
Biochimica et Biophysica Acta (BBA)-Biomembranes
Cholesteryl hemisuccinate (CHS) is one of the cholesterol-mimicking detergents not observed in nature. It is, however, widely used in protein crystallography, in biochemical studies of proteins, and in pharmacology. Here, we performed an extensive ex
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fc7cb12ecec73d66b6589f017b92a15e
http://www.scopus.com/inward/record.url?scp=84912099904&partnerID=8YFLogxK
http://www.scopus.com/inward/record.url?scp=84912099904&partnerID=8YFLogxK
Autor:
Joona Tynkkynen, Waldemar Kulig, Moutusi Manna, Ilpo Vattulainen, Matti Javanainen, Pavel Jungwirth, Tomasz Róg
Publikováno v:
Journal of Molecular Modeling
Kulig, W, Tynkkynen, J, Javanainen, M, Manna, M, Rog, T, Vattulainen, I & Jungwirth, P 2014, ' How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers? ', Journal of Molecular Modeling, vol. 20, no. 2, 2121 . https://doi.org/10.1007/s00894-014-2121-z
Kulig, W, Tynkkynen, J, Javanainen, M, Manna, M, Rog, T, Vattulainen, I & Jungwirth, P 2014, ' How well does cholesteryl hemisuccinate mimic cholesterol in saturated phospholipid bilayers? ', Journal of Molecular Modeling, vol. 20, no. 2, 2121 . https://doi.org/10.1007/s00894-014-2121-z
Cholesteryl hemisuccinate is a detergent that is often used to replace cholesterol in crystallization of membrane proteins. Here we employ atomistic molecular dynamics simulations to characterize how well the properties of cholesteryl hemisuccinate a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ecec9117fe645422bccae7ac7b49991