Zobrazeno 1 - 9
of 9
pro vyhledávání: '"Tomasz, Rog"'
Autor:
Shreyas Kaptan, Mykhailo Girych, Giray Enkavi, Waldemar Kulig, Vivek Sharma, Joni Vuorio, Tomasz Rog, Ilpo Vattulainen
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 20, Iss , Pp 3336-3346 (2022)
SARS-CoV-2 main protease (Mpro) involved in COVID-19 is required for maturation of the virus and infection of host cells. The key question is how to block the activity of Mpro. By combining atomistic simulations with machine learning, we found that t
Externí odkaz:
https://doaj.org/article/f909179a09dc44f4b4421958ff9c8ce8
Autor:
Franziska Ragaller, Luca Andronico, Jan Sykora, Waldemar Kulig, Tomasz Rog, Yagmur Balim Urem, Abhinav, Dmytro I. Danylchuk, Martin Hof, Andrey Klymchenko, Mariana Amaro, Ilpo Vattulainen, Erdinc Sezgin
Publikováno v:
Open Biology, Vol 12, Iss 9 (2022)
The plasma membrane, as a highly complex cell organelle, serves as a crucial platform for a multitude of cellular processes. Its collective biophysical properties are largely determined by the structural diversity of the different lipid species it ac
Externí odkaz:
https://doaj.org/article/a2865586f97e42b3aeec8cf82ada663d
Autor:
null Franziska Ragaller, null Luca Andronico, null Jan Sykora, null Waldemar Kulig, null Tomasz Rog, null Yagmur Balim Urem, null Abhinav, null Dmytro I. Danylchuk, null Martin Hof, null Andrey Klymchenko, null Mariana Amaro, null Ilpo Vattulainen, null Erdinc Sezgin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f2f033f9a10e83e4f26398612c1a99e0
https://doi.org/10.1098/rsob.220175/v2/response1
https://doi.org/10.1098/rsob.220175/v2/response1
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:
Tarja Äijänen, Artturi Koivuniemi, Matti Javanainen, Sami Rissanen, Tomasz Rog, Ilpo Vattulainen
Publikováno v:
PLoS Computational Biology, Vol 10, Iss 11, p e1003987 (2014)
Cholesteryl ester transfer protein (CETP) mediates the reciprocal transfer of neutral lipids (cholesteryl esters, triglycerides) and phospholipids between different lipoprotein fractions in human blood plasma. A novel molecular agent known as anacetr
Externí odkaz:
https://doaj.org/article/04613eab1bdb4a1885fca17a4069493a
Autor:
Maarit Neuvonen, Moutusi Manna, Sini Mokkila, Matti Javanainen, Tomasz Rog, Zheng Liu, Robert Bittman, Ilpo Vattulainen, Elina Ikonen
Publikováno v:
PLoS ONE, Vol 9, Iss 8, p e103743 (2014)
Bacterial cholesterol oxidase is commonly used as an experimental tool to reduce cellular cholesterol content. That the treatment also generates the poorly degradable metabolite 4-cholesten-3-one (cholestenone) has received less attention. Here, we i
Externí odkaz:
https://doaj.org/article/669fd9082c294e02ad5b0a311d8a0bce
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:
Tomasz Rog, Leszek Hadasz
Publikováno v:
Physics Letters B. 388:77-81
In the present paper we investigate classical dynamics of the Nambu-Goto string with the Gauss-Bonnet term in the action and point-like masses at the ends in the context of effective QCD string. The configurations of rigidly rotating string is studie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de45fc8121e638e5dda3d8281a593ca8
https://doi.org/10.1016/0370-2693(96)01160-4
https://doi.org/10.1016/0370-2693(96)01160-4
Publikováno v:
Cellularmolecular biology letters. 10(4)
Molecular dynamics simulations of glycolipid bilayers consisting of 1,2-di-O-palmitoyl-3-O-beta-D-glucosyl-sn-glycerol were performed using five different force field parameterizations. Comparing the results with experimental data revealed that only
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::2c55a4e6ff385b4e98268db83bbb5b3f
https://pubmed.ncbi.nlm.nih.gov/16341271
https://pubmed.ncbi.nlm.nih.gov/16341271