Computational modeling of realistic cell membranes

SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson… - Chemical …, 2019 - ACS Publications
Cell membranes contain a large variety of lipid types and are crowded with proteins,
endowing them with the plasticity needed to fulfill their key roles in cell functioning. The …

Molecular dynamics simulations and novel drug discovery

X Liu, D Shi, S Zhou, H Liu, H Liu… - Expert opinion on drug …, 2018 - Taylor & Francis
Introduction: Molecular dynamics (MD) simulations can provide not only plentiful dynamical
structural information on biomacromolecules but also a wealth of energetic information …

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 …

[HTML][HTML] Mitochondrial quality control in neurodegenerative diseases: focus on Parkinson's disease and Huntington's disease

S Franco-Iborra, M Vila, C Perier - Frontiers in neuroscience, 2018 - frontiersin.org
In recent years, several important advances have been made in our understanding of the
pathways that lead to cell dysfunction and death in Parkinson's disease (PD) and …

α-Synuclein: membrane interactions and toxicity in Parkinson's disease

PK Auluck, G Caraveo… - Annual review of cell and …, 2010 - annualreviews.org
In the late 1990s, mutations in the synaptic protein α-synuclein (α-syn) were identified in
families with hereditary Parkinson's disease (PD). Rapidly, α-syn became the target of …

Inhibition of mitochondrial fusion by α‐synuclein is rescued by PINK1, Parkin and DJ‐1

F Kamp, N Exner, AK Lutz, N Wender… - The EMBO …, 2010 - embopress.org
Aggregation of α‐synuclein (αS) is involved in the pathogenesis of Parkinson's disease (PD)
and a variety of related neurodegenerative disorders. The physiological function of αS is …

Mechanisms of membrane curvature sensing

B Antonny - Annual review of biochemistry, 2011 - annualreviews.org
Bacteria and eukaryotic cells contain geometry-sensing tools in their cytosol: protein motifs
or domains that recognize the curvature, concave or convex, deep or shallow, of lipid …

[HTML][HTML] Effects of curvature and composition on α-synuclein binding to lipid vesicles

ER Middleton, E Rhoades - Biophysical journal, 2010 - cell.com
Parkinson's disease is characterized by the presence of intracellular aggregates composed
primarily of the neuronal protein α-synuclein (αS). Interactions between αS and various …

Mitochondrial dynamics in Parkinson's disease: a role for α-synuclein?

VM Pozo Devoto, TL Falzone - Disease Models & …, 2017 - journals.biologists.com
The distinctive pathological hallmarks of Parkinson's disease are the progressive death of
dopaminergic neurons and the intracellular accumulation of Lewy bodies enriched in α …

[HTML][HTML] The N-terminus of the intrinsically disordered protein α-synuclein triggers membrane binding and helix folding

T Bartels, LS Ahlstrom, A Leftin, F Kamp, C Haass… - Biophysical journal, 2010 - cell.com
Alpha-synuclein (αS) is a 140-amino-acid protein that is involved in a number of
neurodegenerative diseases. In Parkinson's disease, the protein is typically encountered in …