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Computational modeling of realistic cell membranes
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 …
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
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 …
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
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 …
present the refined model, Martini 3 (http://cgmartini. nl), with an improved interaction …
Pitfalls of the Martini model
The computational and conceptual simplifications realized by coarse-grain (CG) models
make them a ubiquitous tool in the current computational modeling landscape. Building …
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 …
and set‐up of adaptive responses. An exhaustive and quantitative description of the whole …
Structure and dynamics of GPCRs in lipid membranes: physical principles and experimental approaches
Over the past decade, the vast amount of information generated through structural and
biophysical studies of GPCRs has provided unprecedented mechanistic insight into the …
biophysical studies of GPCRs has provided unprecedented mechanistic insight into the …
[HTML][HTML] Membrane receptor activation mechanisms and transmembrane peptide tools to elucidate them
Single-pass membrane receptors contain extracellular domains that respond to external
stimuli and transmit information to intracellular domains through a single transmembrane …
stimuli and transmit information to intracellular domains through a single transmembrane …
Transmembrane dimers of type 1 receptors sample alternate configurations: MD simulations using coarse grain Martini 3 versus AlphaFold2 Multimer
Structures and dynamics of transmembrane (TM) receptor regions are key to understanding
their signaling mechanism across membranes. Here we examine configurations of TM …
their signaling mechanism across membranes. Here we examine configurations of TM …
Mcl-1 and Bok transmembrane domains: Unexpected players in the modulation of apoptosis
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 …
permeabilization of the mitochondrial outer membrane, a crucial step in the modulation of …
Transmembrane but not soluble helices fold inside the ribosome tunnel
Integral membrane proteins are assembled into the ER membrane via a continuous
ribosome-translocon channel. The hydrophobicity and thickness of the core of the …
ribosome-translocon channel. The hydrophobicity and thickness of the core of the …