Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation
The cellular membrane constitutes one of the most fundamental compartments of a living
cell, where key processes such as selective transport of material and exchange of …
cell, where key processes such as selective transport of material and exchange of …
Modeling membrane curvature generation due to membrane–protein interactions
H Alimohamadi, P Rangamani - Biomolecules, 2018 - mdpi.com
To alter and adjust the shape of the plasma membrane, cells harness various mechanisms
of curvature generation. Many of these curvature generation mechanisms rely on the …
of curvature generation. Many of these curvature generation mechanisms rely on the …
Machine learning-driven multiscale modeling: bridging the scales with a next-generation simulation infrastructure
Interdependence across time and length scales is common in biology, where atomic
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …
Protein structure prediction and design in a biologically realistic implicit membrane
Protein design is a powerful tool for elucidating mechanisms of function and engineering
new therapeutics and nanotechnologies. Although soluble protein design has advanced …
new therapeutics and nanotechnologies. Although soluble protein design has advanced …
Large-scale state-dependent membrane remodeling by a transporter protein
That channels and transporters can influence the membrane morphology is increasingly
recognized. Less appreciated is that the extent and free-energy cost of these deformations …
recognized. Less appreciated is that the extent and free-energy cost of these deformations …
Membrane curvature sensing and symmetry breaking of the M2 proton channel from Influenza A
J Lincoff, CVM Helsell, FV Marcoline, AM Natale… - Elife, 2024 - elifesciences.org
The M2 proton channel aids in the exit of mature influenza viral particles from the host
plasma membrane through its ability to stabilize regions of high negative Gaussian …
plasma membrane through its ability to stabilize regions of high negative Gaussian …
Principles and methods in computational membrane protein design
AA Vorobieva - Journal of Molecular Biology, 2021 - Elsevier
After decades of progress in computational protein design, the design of proteins folding and
functioning in lipid membranes appears today as the next frontier. Some notable successes …
functioning in lipid membranes appears today as the next frontier. Some notable successes …
Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca2+-bound nhTMEM16
Both lipid and ion translocation by Ca2+-regulated TMEM16 transmembrane proteins
utilizes a membrane-exposed hydrophilic groove. Several conformations of the groove are …
utilizes a membrane-exposed hydrophilic groove. Several conformations of the groove are …
Membrane elastic deformations modulate gramicidin A transbilayer dimerization and lateral clustering
OV Kondrashov, TR Galimzyanov, KV Pavlov… - Biophysical journal, 2018 - cell.com
Gramicidin A (gA) is a short β-helical peptide known to form conducting channels in lipid
membranes because of transbilayer dimerization. The gA conducting dimer, being shorter …
membranes because of transbilayer dimerization. The gA conducting dimer, being shorter …
Continuum descriptions of membranes and their interaction with proteins: towards chemically accurate models
Biological membranes deform in response to resident proteins leading to a coupling
between membrane shape and protein localization. Additionally, the membrane influences …
between membrane shape and protein localization. Additionally, the membrane influences …