Zobrazeno 1 - 10
of 287
pro vyhledávání: '"Bert L de Groot"'
Publikováno v:
eLife, Vol 12 (2024)
Aquaporin-0 (AQP0) tetramers form square arrays in lens membranes through a yet unknown mechanism, but lens membranes are enriched in sphingomyelin and cholesterol. Here, we determined electron crystallographic structures of AQP0 in sphingomyelin/cho
Externí odkaz:
https://doaj.org/article/da574ef9e6f64e36b5620f82a9a767c6
Autor:
Vytautas Gapsys, Bert L de Groot
Publikováno v:
eLife, Vol 9 (2020)
Computational simulations, akin to wetlab experimentation, are subject to statistical fluctuations. Assessing the magnitude of these fluctuations, that is, assigning uncertainties to the computed results, is of critical importance to drawing statisti
Externí odkaz:
https://doaj.org/article/47da752ef6744562a861e0f25d852add
Autor:
Vytautas Gapsys, Bert L de Groot
Publikováno v:
eLife, Vol 8 (2019)
A recent molecular dynamics investigation into the stability of hemoglobin concluded that the unliganded protein is only stable in the T state when a solvent box is used in the simulations that is ten times larger than what is usually employed (El Ha
Externí odkaz:
https://doaj.org/article/93c52ed7372142cc853905099a3df640
Autor:
Andreas Kirscht, Shreyas S Kaptan, Gerd Patrick Bienert, François Chaumont, Poul Nissen, Bert L de Groot, Per Kjellbom, Pontus Gourdon, Urban Johanson
Publikováno v:
PLoS Biology, Vol 14, Iss 3, p e1002411 (2016)
Aquaporins of the TIP subfamily (Tonoplast Intrinsic Proteins) have been suggested to facilitate permeation of water and ammonia across the vacuolar membrane of plants, allowing the vacuole to efficiently sequester ammonium ions and counteract cytoso
Externí odkaz:
https://doaj.org/article/fc183cfef4064233bd579822e0720255
Autor:
Martin D Vesper, Bert L de Groot
Publikováno v:
PLoS Computational Biology, Vol 9, Iss 9, p e1003232 (2013)
Hemoglobin is the prototypic allosteric protein. Still, its molecular allosteric mechanism is not fully understood. To elucidate the mechanism of cooperativity on an atomistic level, we developed a novel computational technique to analyse the couplin
Externí odkaz:
https://doaj.org/article/c865f5a674c247ca99204ce920fca11f
Publikováno v:
PLoS Computational Biology, Vol 9, Iss 5, p e1003058 (2013)
The bacterial potassium channel KcsA, which has been crystallized in several conformations, offers an ideal model to investigate activation gating of ion channels. In this study, essential dynamics simulations are applied to obtain insights into the
Externí odkaz:
https://doaj.org/article/71a3f063ff8645a1aaff80e3a1c33299
Autor:
David A Köpfer, Ulrike Hahn, Iris Ohmert, Gert Vriend, Olaf Pongs, Bert L de Groot, Ulrich Zachariae
Publikováno v:
PLoS ONE, Vol 7, Iss 7, p e41023 (2012)
K(+) channels control transmembrane action potentials by gating open or closed in response to external stimuli. Inactivation gating, involving a conformational change at the K(+) selectivity filter, has recently been recognized as a major K(+) channe
Externí odkaz:
https://doaj.org/article/09da7d2423f74e799d57e69776b32492
Autor:
Jan H Peters, Bert L de Groot
Publikováno v:
PLoS Computational Biology, Vol 8, Iss 10, p e1002704 (2012)
Protein-protein interactions play an important role in all biological processes. However, the principles underlying these interactions are only beginning to be understood. Ubiquitin is a small signalling protein that is covalently attached to differe
Externí odkaz:
https://doaj.org/article/dd9f5bb74da6409aa731743bd3223571
Publikováno v:
PLoS ONE, Vol 6, Iss 5, p e19129 (2011)
The process of protein misfolding and self-assembly into various, polymorphic aggregates is associated with a number of important neurodegenerative diseases. Only recently, crystal structures of several short peptides have provided detailed structura
Externí odkaz:
https://doaj.org/article/ab6fbce3cc9f4e6ca56fd3e71980b6c0
Publikováno v:
PLoS Computational Biology, Vol 6, Iss 5, p e1000774 (2010)
We present molecular dynamics simulations of unliganded human hemoglobin (Hb) A under physiological conditions, starting from the R, R2, and T state. The simulations were carried out with protonated and deprotonated HC3 histidines His(beta)146, and t
Externí odkaz:
https://doaj.org/article/141ab86c8c8a46aea94aa2dc50f91b07