Zobrazeno 1 - 10
of 23
pro vyhledávání: '"Djurre H. de Jong"'
Autor:
Djurre H. de Jong, Andreas Rühling, Hans-Joachim Galla, Frank Glorius, Stephanie Wulff, Andreas Heuer, Karina Shimizu, Da Wang, Volker Lesch
Publikováno v:
Langmuir. 32:12579-12592
4,5-Dialkylated imidazolium lipid salts are a new class of lipid analogues showing distinct biological activities. The potential effects of the imidazolium lipids on artificial lipid membranes and the corresponding membrane interactions was analyzed.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c312770a258e5e6f549c982a954b61b7
https://doi.org/10.1021/acs.langmuir.6b02496
https://doi.org/10.1021/acs.langmuir.6b02496
Publikováno v:
Computer Physics Communications, 199, 1-7. ELSEVIER SCIENCE BV
In molecular dynamics simulations, sufficient sampling is of key importance and a continuous challenge in the field. The coarse grain Martini force field has been widely used to enhance sampling. In its original implementation, this force field appli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abaefebab145aeacc87658950f5f0918
https://doi.org/10.1016/j.cpc.2015.09.014
https://doi.org/10.1016/j.cpc.2015.09.014
Autor:
Alex H. de Vries, Tsjerk A. Wassenaar, Siewert J. Marrink, Djurre H. de Jong, Floris J. van Eerden
Publikováno v:
Biochimica et Biophysica Acta-Biomembranes, 1848(6), 1319-1330. Elsevier
The thylakoid membrane is mainly composed of non-common lipids, so called galactolipids. Despite the importance of these lipids for the function of the photosynthetic reaction centers, the molecular organization of these membranes is largely unexplor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::418d75497876237016f0198d6da59959
https://doi.org/10.1016/j.bbamem.2015.02.025
https://doi.org/10.1016/j.bbamem.2015.02.025
Autor:
Michael W. Risør, Jan J. Enghild, Niels Chr. Nielsen, Young-Ho Lee, Renee Otten, Nur Alia Oktaviani, Frans A. A. Mulder, Djurre H. de Jong, Rik P. Megens, Ruud M. Scheek, Takahisa Ikegami
Publikováno v:
Oktaviani, N A, Risør, M W, Lee, Y-H, Megens, R P, de Jong, D H, Otten, R, Scheek, R M, Enghild, J J, Nielsen, N C, Ikegami, T & Mulder, F A A 2015, ' Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide ', Journal of Biomolecular N M R, vol. 62, no. 2, pp. 129-142 . https://doi.org/10.1007/s10858-015-9925-8
Journal of Biomolecular Nmr, 62(2), 129-142. SPRINGER
Journal of Biomolecular Nmr, 62(2), 129-142. SPRINGER
Co-solute paramagnetic relaxation enhancement (PRE) is an attractive way to speed up data acquisition in NMR spectroscopy by shortening the T 1 relaxation time of the nucleus of interest and thus the necessary recycle delay. Here, we present the rati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5dc064bcc2645ffc96640be410d802cf
https://doi.org/10.1007/s10858-015-9925-8
https://doi.org/10.1007/s10858-015-9925-8
Autor:
Xavier Periole, Tomas E. van den Berg, Clement Arnarez, Djurre H. de Jong, Nicoletta Liguori, Siewert J. Marrink
Publikováno v:
Journal of Physical Chemistry B, 119(25), 7791-7803. American Chemical Society
de Jong, D H, Liguori, N, van den Berg, T E, Arnarez, C, Periole, X & Marrink, S J 2015, ' Atomistic and Coarse Grain Topologies for the Cofactors Associated with the Photosystem II Core Complex ', Journal of Physical Chemistry B, vol. 119, no. 25, pp. 7791-7803 . https://doi.org/10.1021/acs.jpcb.5b00809
The Journal of Physical Chemistry B, 119(25), 7791-7803. AMER CHEMICAL SOC
de Jong, D H, Liguori, N, van den Berg, T E, Arnarez, C, Periole, X & Marrink, S J 2015, ' Atomistic and Coarse Grain Topologies for the Cofactors Associated with the Photosystem II Core Complex ', Journal of Physical Chemistry B, vol. 119, no. 25, pp. 7791-7803 . https://doi.org/10.1021/acs.jpcb.5b00809
The Journal of Physical Chemistry B, 119(25), 7791-7803. AMER CHEMICAL SOC
Electron transfers within and between protein complexes are core processes of the electron transport chains occurring in thylakoid (chloroplast), mitochondrial, and bacterial membranes. These electron transfers involve a number of cofactors. Here we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e84f763d0afea616c01f813ceec4391
https://research.vu.nl/en/publications/7d37d658-2c15-4a56-927a-1c45db0b91d2
https://research.vu.nl/en/publications/7d37d658-2c15-4a56-927a-1c45db0b91d2
Autor:
Xavier Periole, Manuel N. Melo, Siewert J. Marrink, Jaakko J. Uusitalo, Alex H. de Vries, Clement Arnarez, Helgi I. Ingólfsson, Djurre H. de Jong, Marcelo F. Masman
Publikováno v:
Journal of Chemical Theory and Computation, 11(1), 260-275. AMER CHEMICAL SOC
Coarse-grained (CG) models allow simulation of larger systems for longer times by decreasing the number of degrees of freedom compared with all-atom models. Here we introduce an implicit-solvent version of the popular CG Martini model, nicknamed Dry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::93bf8e6e90adaf63c92cda02470b202f
https://hdl.handle.net/11370/bb4f060e-4171-4b0d-b50c-d63930b5c08b
https://hdl.handle.net/11370/bb4f060e-4171-4b0d-b50c-d63930b5c08b
Autor:
Marcus Böckmann, Cornelia Denz, Djurre H. de Jong, Andreas Heuer, Thomas Schemme, Nikos L. Doltsinis
Publikováno v:
Physical Chemistry Chemical Physics. 17:28616-28625
Optical absorption spectra of poly(3-hexylthiophene) (P3HT) are calculated in solution, spin-coated thin films, and the bulk crystal using a multiscale simulation approach. The structure of the amorphous thin film is obtained from coarse grained mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::568cd8ad93121da3705b5d577c9fd853
https://doi.org/10.1039/c5cp03665h
https://doi.org/10.1039/c5cp03665h
Autor:
Pim W. J. M. Frederix, Floris J. van Eerden, Djurre H. de Jong, Xavier Periole, Tomas E. van den Berg, Siewert J. Marrink
Publikováno v:
Van Eerden, F J, Van Den Berg, T, Frederix, P W J M, De Jong, D H, Periole, X & Marrink, S J 2017, ' Molecular Dynamics of Photosystem II Embedded in the Thylakoid Membrane ', Journal of Physical Chemistry B, vol. 121, no. 15, pp. 3237-3249 . https://doi.org/10.1021/acs.jpcb.6b06865
Journal of Physical Chemistry B., 121(15):jpcb.6b06865. AMER CHEMICAL SOC
Journal of Physical Chemistry B, 121(15), 3237-3249. American Chemical Society
ResearcherID
Journal of Physical Chemistry B., 121(15):jpcb.6b06865. AMER CHEMICAL SOC
Journal of Physical Chemistry B, 121(15), 3237-3249. American Chemical Society
ResearcherID
Photosystem II (PSII) is one of the key protein complexes in photosynthesis. We introduce a coarse grained model of PSII and present the analysis of 60 µs molecular dynamics simulations of PSII in both monomeric and dimeric form, embedded in a thyla
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bc1d8d4630071162168cd2a716554e06
https://hdl.handle.net/11370/683086b1-e3e1-4657-b35c-33fba3e36193
https://hdl.handle.net/11370/683086b1-e3e1-4657-b35c-33fba3e36193
Autor:
Djurre H. de Jong, Katherine C. Hall, Nicole Ramsey, Olaf S. Andersen, Karl F. Herold, Martijn Zwama, Pratima Thakur, Thorsten Maretzky, Carl P. Blobel, Armagan Kocer, Jon T. Sack, Helgi I. Ingólfsson, Siewert J. Marrink, Hugh C. Hemmings, E. Ashley Hobart, Duygu Yilmaz, Xavier Periole
Publikováno v:
ACS Chemical Biology
ACS chemical biology, vol 9, iss 8
ACS chemical biology, 9(8), 1788-1798. AMER CHEMICAL SOC
ACS chemical biology, vol 9, iss 8
ACS chemical biology, 9(8), 1788-1798. AMER CHEMICAL SOC
A wide variety of phytochemicals are consumed for their perceived health benefits. Many of these phytochemicals have been found to alter numerous cell functions, but the mechanisms underlying their biological activity tend to be poorly understood. Ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5f6bb5f643cfb80924bb7df442688cca
https://research.rug.nl/en/publications/4142f31a-c69f-492a-9a0e-cdbcac595808
https://research.rug.nl/en/publications/4142f31a-c69f-492a-9a0e-cdbcac595808
Autor:
Srinivasa M. Gopal, Xavier Periole, Cesar A. Lopez, Djurre H. de Jong, Siewert J. Marrink, Jaakko J. Uusitalo, Helgi I. Ingólfsson
Publikováno v:
Wiley Interdisciplinary Reviews: Computational Molecular Science. 4:225-248
Computational modeling of biological systems is challenging because of the multitude of spatial and temporal scales involved. Replacing atomistic detail with lower resolution, coarse grained (CG), beads has opened the way to simulate large-scale biom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05ca2369736e0a39174de08fc83b79fe
https://doi.org/10.1002/wcms.1169
https://doi.org/10.1002/wcms.1169