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 …
On the conformational dynamics of β-amyloid forming peptides: A computational perspective
Understanding the conformational dynamics of proteins and peptides involved in important
functions is still a difficult task in computational structural biology. Because such …
functions is still a difficult task in computational structural biology. Because such …
Effect of Terahertz Waves on the Structure of the Aβ42 Monomer, Dimer, and Protofibril: Insights from Molecular Dynamics Simulations
Amyloid-β (Aβ) and its assemblies play important roles in the pathogenesis of Alzheimer's
disease (AD). Recent studies conducted by experimental and computational researchers …
disease (AD). Recent studies conducted by experimental and computational researchers …
Effect of electric field on α-synuclein fibrils: Revealed by molecular dynamics simulations
The self-association of amylogenic proteins to the fibril form is considered a pivotal factor in
the pathogenesis of neurodegenerative diseases, including Parkinson's disease (PD). PD …
the pathogenesis of neurodegenerative diseases, including Parkinson's disease (PD). PD …
Molecular dynamics simulations explore effects of electric field orientations on spike proteins of SARS-CoV-2 virions
Emergence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and its
current worldwide spread have caused a pandemic of acute respiratory disease COVID-19 …
current worldwide spread have caused a pandemic of acute respiratory disease COVID-19 …
Invasive and non-invasive therapies for Alzheimer's disease and other amyloidosis
Advancements in medical science have facilitated in extending human lives. The increased
life expectancy, though, has come at a cost. The cases of an aging population suffering from …
life expectancy, though, has come at a cost. The cases of an aging population suffering from …
Electric field disruption of amyloid aggregation: potential noninvasive therapy for Alzheimer's disease
The aggregation of β-amyloid peptides is a key event in the formative stages of Alzheimer's
disease. Promoting folding and inhibiting aggregation was reported as an effective strategy …
disease. Promoting folding and inhibiting aggregation was reported as an effective strategy …
Electromagnetic bioeffects: a multiscale molecular simulation perspective
Electromagnetic bioeffects remain an enigma from both the experimental and theoretical
perspectives despite the ubiquitous presence of related technologies in contemporary life …
perspectives despite the ubiquitous presence of related technologies in contemporary life …
Elucidating the effect of static electric field on amyloid beta 1–42 supramolecular assembly
Amyloid-β (Aβ) aggregation is recognized to be a key toxic factor in the pathogenesis of
Alzheimer disease, which is the most common progressive neurodegenerative disorder. In …
Alzheimer disease, which is the most common progressive neurodegenerative disorder. In …
Impact of Amidation on Aβ25–35 Aggregation
Toxic oligomeric species are suspected in the etiology of Alzheimer's disease. The full-
length Aβ42 can be studied by the fragment Aβ25–35 as it retains neurotoxicity. According to …
length Aβ42 can be studied by the fragment Aβ25–35 as it retains neurotoxicity. According to …