Nanodiscs in membrane biochemistry and biophysics
IG Denisov, SG Sligar - Chemical reviews, 2017 - ACS Publications
Membrane proteins play a most important part in metabolism, signaling, cell motility,
transport, development, and many other biochemical and biophysical processes which …
transport, development, and many other biochemical and biophysical processes which …
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 …
CHARMM-GUI Membrane Builder: Past, Current, and Future Developments and Applications
Molecular dynamics simulations of membranes and membrane proteins serve as
computational microscopes, revealing coordinated events at the membrane interface. As G …
computational microscopes, revealing coordinated events at the membrane interface. As G …
CHARMM-GUI HMMM builder for membrane simulations with the highly mobile membrane-mimetic model
Slow diffusion of the lipids in conventional all-atom simulations of membrane systems makes
it difficult to sample large rearrangements of lipids and protein-lipid interactions. Recently …
it difficult to sample large rearrangements of lipids and protein-lipid interactions. Recently …
A network of phosphatidylinositol 4,5-bisphosphate binding sites regulates gating of the Ca2+-activated Cl− channel ANO1 (TMEM16A)
ANO1 (TMEM16A) is a Ca2+-activated Cl− channel that regulates diverse cellular functions
including fluid secretion, neuronal excitability, and smooth muscle contraction. ANO1 is …
including fluid secretion, neuronal excitability, and smooth muscle contraction. ANO1 is …
Binding mode of SARS-CoV-2 fusion peptide to human cellular membrane
Infection of human cells by the severe acute respiratory syndrome coronavirus 2 (SARS-
CoV2) relies on its binding to a specific receptor and subsequent fusion of the viral and host …
CoV2) relies on its binding to a specific receptor and subsequent fusion of the viral and host …
Structural basis of complex formation between mitochondrial anion channel VDAC1 and Hexokinase-II
Complex formation between hexokinase-II (HKII) and the mitochondrial VDAC1 is crucial to
cell growth and survival. We hypothesize that HKII first inserts into the outer membrane of …
cell growth and survival. We hypothesize that HKII first inserts into the outer membrane of …
[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 …
Interactions of pleckstrin homology domains with membranes: adding back the bilayer via high-throughput molecular dynamics
A molecular simulation pipeline for determining the mode of interaction of pleckstrin
homology (PH) domains with phosphatidylinositol phosphate (PIP)-containing lipid bilayers …
homology (PH) domains with phosphatidylinositol phosphate (PIP)-containing lipid bilayers …
Challenges in structural approaches to cell modeling
Computational modeling is essential for structural characterization of biomolecular
mechanisms across the broad spectrum of scales. Adequate understanding of biomolecular …
mechanisms across the broad spectrum of scales. Adequate understanding of biomolecular …