Cationic surfactants: A review
Cationic surfactants have gained significant interest since their introduction. Their properties
and adsorption behavior onto different surfaces have driven the development of a plethora …
and adsorption behavior onto different surfaces have driven the development of a plethora …
Cation-π interactions and their functional roles in membrane proteins
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 …
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 …
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 …
membranes to carry out functions such as cell signalling, enzymatic activity, or membrane …
Alchemical Free Energy Calculations on Membrane-Associated Proteins
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 …
targets. The advances in membrane protein structural biology have revealed drug and lipid …
Capturing choline–aromatics cation− π interactions in the MARTINI force field
Cation− π interactions play an important role in biomolecular recognition, including
interactions between membrane phosphatidylcholine lipids and aromatic amino acids of …
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
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 …
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 …
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 …
environments via both hydrophobic and electrostatic interactions. Determining the extent to …
Dissecting peripheral protein-membrane interfaces
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 …
common to bind transiently to the chemically complex interfacial region of membranes …