Cationic surfactants: A review

RA Gonçalves, K Holmberg, B Lindman - Journal of Molecular Liquids, 2023 - Elsevier
Cationic surfactants have gained significant interest since their introduction. Their properties
and adsorption behavior onto different surfaces have driven the development of a plethora …

Cation-π interactions and their functional roles in membrane proteins

DT Infield, A Rasouli, GD Galles, C Chipot… - Journal of molecular …, 2021 - Elsevier
Cation-π interactions arise as a result of strong attractive forces between positively charged
entities and the π-electron cloud of aromatic groups. The physicochemical characteristics of …

Improved protein model in SPICA force field

T Yamada, Y Miyazaki, S Harada… - Journal of Chemical …, 2023 - ACS Publications
The previous version of the SPICA coarse-grained (CG) force field (FF) protein model
focused primarily on membrane proteins and successfully reproduced the dimerization free …

Specific interactions of peripheral membrane proteins with lipids: what can molecular simulations show us?

AH Larsen, LH John, MSP Sansom… - Bioscience …, 2022 - portlandpress.com
Peripheral membrane proteins (PMPs) can reversibly and specifically bind to biological
membranes to carry out functions such as cell signalling, enzymatic activity, or membrane …

Alchemical Free Energy Calculations on Membrane-Associated Proteins

M Papadourakis, H Sinenka, P Matricon… - Journal of Chemical …, 2023 - ACS Publications
Membrane proteins have diverse functions within cells and are well-established drug
targets. The advances in membrane protein structural biology have revealed drug and lipid …

Capturing choline–aromatics cation− π interactions in the MARTINI force field

HM Khan, PCT Souza, S Thallmair… - Journal of chemical …, 2020 - ACS Publications
Cation− π interactions play an important role in biomolecular recognition, including
interactions between membrane phosphatidylcholine lipids and aromatic amino acids of …

Molecular Mechanism of P53 Peptide Permeation through Lipid Membranes from Solid-State NMR Spectroscopy and Molecular Dynamics Simulations

M Li, J Li, X Lu, R Schroder… - Journal of the …, 2024 - ACS Publications
Macrocyclic peptides show promise in targeting high-value therapeutically relevant binding
sites due to their high affinity and specificity. However, their clinical application is often …

[HTML][HTML] Membrane specificity of the human cholesterol transfer protein STARD4

R Talandashti, L van Ek, C Gehin, D Xue… - Journal of Molecular …, 2024 - Elsevier
STARD4 regulates cholesterol homeostasis by transferring cholesterol between the plasma
membrane and endoplasmic reticulum. The STARD4 structure features a helix-grip fold …

Tuning phenylalanine fluorination to assess aromatic contributions to protein function and stability in cells

GD Galles, DT Infield, CJ Clark, ML Hemshorn… - Nature …, 2023 - nature.com
The aromatic side-chains of phenylalanine, tyrosine, and tryptophan interact with their
environments via both hydrophobic and electrostatic interactions. Determining the extent to …

Dissecting peripheral protein-membrane interfaces

T Tubiana, I Sillitoe, C Orengo… - PLOS Computational …, 2022 - journals.plos.org
Peripheral membrane proteins (PMPs) include a wide variety of proteins that have in
common to bind transiently to the chemically complex interfacial region of membranes …