Emerging diversity in lipid–protein interactions

V Corradi, BI Sejdiu, H Mesa-Galloso… - Chemical …, 2019 - ACS Publications
Membrane lipids interact with proteins in a variety of ways, ranging from providing a stable
membrane environment for proteins to being embedded in to detailed roles in complicated …

Characterization of lipid–protein interactions and lipid-mediated modulation of membrane protein function through molecular simulation

MP Muller, T Jiang, C Sun, M Lihan, S Pant… - Chemical …, 2019 - ACS Publications
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 …

CHARMM‐GUI Membrane Builder toward realistic biological membrane simulations

EL Wu, X Cheng, S Jo, H Rui, KC Song… - 2014 - Wiley Online Library
CHARMM‐GUI Membrane Builder, http://www. charmm‐gui. org/input/membrane, is a web‐
based user interface designed to interactively build all‐atom protein/membrane or …

Viral membrane fusion: a dance between proteins and lipids

JM White, AE Ward, L Odongo… - Annual review of …, 2023 - annualreviews.org
There are at least 21 families of enveloped viruses that infect mammals, and many contain
members of high concern for global human health. All enveloped viruses have a dedicated …

Fusion peptide of SARS-CoV-2 spike rearranges into a wedge inserted in bilayered micelles

RK Koppisetti, YG Fulcher… - Journal of the American …, 2021 - ACS Publications
The receptor binding and proteolysis of Spike of SARS-CoV-2 release its S2 subunit to
rearrange and catalyze viral-cell fusion. This deploys the fusion peptide for insertion into the …

Perturbations of native membrane protein structure in alkyl phosphocholine detergents: a critical assessment of NMR and biophysical studies

C Chipot, F Dehez, JR Schnell, N Zitzmann… - Chemical …, 2018 - ACS Publications
Membrane proteins perform a host of vital cellular functions. Deciphering the molecular
mechanisms whereby they fulfill these functions requires detailed biophysical and structural …

[图书][B] The structure of biological membranes

PL Yeagle - 2004 - taylorfrancis.com
Recent research has provided an abundance of new information on membrane
biochemistry. Now more than ever, it is essential to update our current understanding of …

Molecular dynamics, monte carlo simulations, and langevin dynamics: a computational review

E Paquet, HL Viktor - BioMed research international, 2015 - Wiley Online Library
Macromolecular structures, such as neuraminidases, hemagglutinins, and monoclonal
antibodies, are not rigid entities. Rather, they are characterised by their flexibility, which is …

Characterization of a highly conserved domain within the severe acute respiratory syndrome coronavirus spike protein S2 domain with characteristics of a viral fusion …

IG Madu, SL Roth, S Belouzard, GR Whittaker - Journal of virology, 2009 - Am Soc Microbiol
Many viral fusion proteins are primed by proteolytic cleavage near their fusion peptides.
While the coronavirus (CoV) spike (S) protein is known to be cleaved at the S1/S2 boundary …

Comparison of protein force fields for molecular dynamics simulations

O Guvench, AD MacKerell - Molecular modeling of proteins, 2008 - Springer
In the context of molecular dynamics simulations of proteins, the term “force field” refers to
the combination of a mathematical formula and associated parameters that are used to …