TY - JOUR
T1 - Molecular dynamics simulation of an entire cell
AU - Stevens, Jan A
AU - Grünewald, Fabian
AU - van Tilburg, P A Marco
AU - König, Melanie
AU - Gilbert, Benjamin R
AU - Brier, Troy A
AU - Thornburg, Zane R
AU - Luthey-Schulten, Zaida
AU - Marrink, Siewert J
N1 - Copyright © 2023 Stevens, Grünewald, van Tilburg, König, Gilbert, Brier, Thornburg, Luthey-Schulten and Marrink.
PY - 2023
Y1 - 2023
N2 - The ultimate microscope, directed at a cell, would reveal the dynamics of all the cell's components with atomic resolution. In contrast to their real-world counterparts, computational microscopes are currently on the brink of meeting this challenge. In this perspective, we show how an integrative approach can be employed to model an entire cell, the minimal cell, JCVI-syn3A, at full complexity. This step opens the way to interrogate the cell's spatio-temporal evolution with molecular dynamics simulations, an approach that can be extended to other cell types in the near future.
AB - The ultimate microscope, directed at a cell, would reveal the dynamics of all the cell's components with atomic resolution. In contrast to their real-world counterparts, computational microscopes are currently on the brink of meeting this challenge. In this perspective, we show how an integrative approach can be employed to model an entire cell, the minimal cell, JCVI-syn3A, at full complexity. This step opens the way to interrogate the cell's spatio-temporal evolution with molecular dynamics simulations, an approach that can be extended to other cell types in the near future.
U2 - 10.3389/fchem.2023.1106495
DO - 10.3389/fchem.2023.1106495
M3 - Article
C2 - 36742032
SN - 2296-2646
VL - 11
JO - Frontiers in Chemistry
JF - Frontiers in Chemistry
M1 - 1106495
ER -