Molecular modeling and simulation of the mycobacterial cell envelope: from individual components to cell envelope assemblies
Unlike typical Gram-positive bacteria, the cell envelope of mycobacteria is unique and
composed of a mycobacterial outer membrane, also known as the mycomembrane, a …
composed of a mycobacterial outer membrane, also known as the mycomembrane, a …
pH-dependent interactions of coacervate-forming histidine-rich peptide with model lipid membranes
Peptide-based liquid droplets (coacervates) produced by spontaneous liquid-liquid phase
separation (LLPS), have emerged as a promising class of drug delivery systems due to their …
separation (LLPS), have emerged as a promising class of drug delivery systems due to their …
Visualizing liquid-liquid phase transitions
Liquid-liquid phase condensation governs a wide range of protein-protein and protein-RNA
interactions in vivo and drives the formation of membrane-less compartments such as the …
interactions in vivo and drives the formation of membrane-less compartments such as the …
Uncovering the Mechanism of Hepatotoxiciy of PFAS Targeting L-FABP Using GCN and Computational Modeling
Per-and polyfluoroalkyl substances (PFAS) are persistent environmental pollutants with
known toxicity and bioaccumulation issues. Their widespread industrial use and resistance …
known toxicity and bioaccumulation issues. Their widespread industrial use and resistance …
A computational model for lipid-anchored polysaccharide export by the outer membrane protein GfcD
Many bacteria are protected by different types of polysaccharide capsules, structures formed
of long repetitive glycan chains that are sometimes free and sometimes anchored to the …
of long repetitive glycan chains that are sometimes free and sometimes anchored to the …
Tuning Hydrogen Bond Networks at Gold Electrodes: A Study of Potential-Dependent DMSO-Water Interfaces
Z Al-Mualem, A Cardenas, S Hazarika, H Ren, C Baiz - 2024 - chemrxiv.org
Understanding the behavior of hydrogen bond (H-bond) networks at electrode interfaces is
the first step towards optimizing electrochemical processes. This study investigates the …
the first step towards optimizing electrochemical processes. This study investigates the …
Multiscale modeling of lithium transport in solid and hybrid Li-ion electrolytes and their interfaces
JM Dalmas - 2023 - theses.hal.science
Hybrid Solid Electrolytes (HSEs) offer a promising alternative to conventional liquid
electrolytes in the field of Li-ion batteries. These HSEs incorporate ceramic fillers, typically in …
electrolytes in the field of Li-ion batteries. These HSEs incorporate ceramic fillers, typically in …