Computational studies of lipid droplets

S Kim, JMJ Swanson, GA Voth - The Journal of Physical Chemistry …, 2022 - ACS Publications
Lipid droplets (LDs) are intracellular organelles whose primary function is energy storage.
Known to emerge from the endoplasmic reticulum (ER) bilayer, LDs have a unique structure …

Application of computational approaches in biomembranes: From structure to function

J Guo, Y Bao, M Li, S Li, L Xi, P Xin… - Wiley …, 2023 - Wiley Online Library
Biological membranes (biomembranes) are one of the most complicated structures that
allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing …

Triglyceride lipolysis triggers liquid crystalline phases in lipid droplets and alters the LD proteome

S Rogers, L Gui, A Kovalenko, V Zoni… - Journal of Cell …, 2022 - rupress.org
Lipid droplets (LDs) are reservoirs for triglycerides (TGs) and sterol-esters (SEs), but how
these lipids are organized within LDs and influence their proteome remain unclear. Using in …

Lessons for Oral bioavailability: how Conformationally flexible cyclic peptides enter and cross lipid membranes

SM Linker, C Schellhaas, AS Kamenik… - Journal of medicinal …, 2023 - ACS Publications
Cyclic peptides extend the druggable target space due to their size, flexibility, and hydrogen-
bonding capacity. However, these properties impact also their passive membrane …

NMR identification of a conserved Drp1 cardiolipin-binding motif essential for stress-induced mitochondrial fission

M Mahajan, N Bharambe, Y Shang… - Proceedings of the …, 2021 - National Acad Sciences
Mitochondria form tubular networks that undergo coordinated cycles of fission and fusion.
Emerging evidence suggests that a direct yet unresolved interaction of the …

Phase‐Separated Lipid‐Based Nanoparticles: Selective Behavior at the Nano‐Bio Interface

P Papadopoulou, R van der Pol… - Advanced …, 2024 - Wiley Online Library
The membrane‐protein interface on lipid‐based nanoparticles influences their in vivo
behavior. Better understanding may evolve current drug delivery methods toward effective …

Generation of antimicrobial peptides Leg1 and Leg2 from chickpea storage protein, active against food spoilage bacteria and foodborne pathogens

ML Heymich, U Friedlein, M Trollmann, K Schwaiger… - Food chemistry, 2021 - Elsevier
Contamination with bacteria leads to food waste and foodborne diseases with severe
consequences for the environment and human health. Aiming to reduce food spoilage and …

GROmaρs: A GROMACS-based toolset to analyze density maps derived from molecular dynamics simulations

R Briones, C Blau, C Kutzner, BL de Groot… - Biophysical journal, 2019 - cell.com
We introduce a computational toolset, named GROmaρs, to obtain and compare time-
averaged density maps from molecular dynamics simulations. GROmaρs efficiently …

MemPrep, a new technology for isolating organellar membranes provides fingerprints of lipid bilayer stress

J Reinhard, L Starke, C Klose, P Haberkant… - The EMBO …, 2024 - embopress.org
Biological membranes have a stunning ability to adapt their composition in response to
physiological stress and metabolic challenges. Little is known how such perturbations affect …

Structure and dynamics of the acyl chains in the membrane trafficking and enzymatic processing of lipids

S Vanni, L Riccardi, G Palermo… - Accounts of chemical …, 2019 - ACS Publications
Conspectus The regulatory chemical mechanisms of lipid trafficking and degradation are
involved in many pathophysiological processes, being implicated in severe pain …