Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Multiscale simulations of biological membranes: the challenge to understand biological phenomena in a living substance

G Enkavi, M Javanainen, W Kulig, T Róg… - Chemical …, 2019 - ACS Publications
Biological membranes are tricky to investigate. They are complex in terms of molecular
composition and structure, functional over a wide range of time scales, and characterized by …

Martini 3: a general purpose force field for coarse-grained molecular dynamics

PCT Souza, R Alessandri, J Barnoud, S Thallmair… - Nature …, 2021 - nature.com
The coarse-grained Martini force field is widely used in biomolecular simulations. Here we
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …

Pitfalls of the Martini model

R Alessandri, PCT Souza, S Thallmair… - Journal of chemical …, 2019 - ACS Publications
The computational and conceptual simplifications realized by coarse-grain (CG) models
make them a ubiquitous tool in the current computational modeling landscape. Building …

A combined lipidomic and proteomic profiling of Arabidopsis thaliana plasma membrane

D Bahammou, G Recorbet… - The Plant …, 2024 - Wiley Online Library
The plant plasma membrane (PM) plays a key role in perception of environmental signals,
and set‐up of adaptive responses. An exhaustive and quantitative description of the whole …

[HTML][HTML] Membrane receptor activation mechanisms and transmembrane peptide tools to elucidate them

JM Westerfield, FN Barrera - Journal of Biological Chemistry, 2020 - Elsevier
Single-pass membrane receptors contain extracellular domains that respond to external
stimuli and transmit information to intracellular domains through a single transmembrane …

Mcl-1 and Bok transmembrane domains: Unexpected players in the modulation of apoptosis

E Lucendo, M Sancho, F Lolicato… - Proceedings of the …, 2020 - pnas.org
The Bcl-2 protein family comprises both pro-and antiapoptotic members that control the
permeabilization of the mitochondrial outer membrane, a crucial step in the modulation of …

Transmembrane but not soluble helices fold inside the ribosome tunnel

M Bañó-Polo, C Baeza-Delgado, S Tamborero… - Nature …, 2018 - nature.com
Integral membrane proteins are assembled into the ER membrane via a continuous
ribosome-translocon channel. The hydrophobicity and thickness of the core of the …