Amyloid oligomers: A joint experimental/computational perspective on Alzheimer's disease, Parkinson's disease, type II diabetes, and amyotrophic lateral sclerosis
PH Nguyen, A Ramamoorthy, BR Sahoo… - Chemical …, 2021 - ACS Publications
Protein misfolding and aggregation is observed in many amyloidogenic diseases affecting
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …
either the central nervous system or a variety of peripheral tissues. Structural and dynamic …
Chemical design of activatable photoacoustic probes for precise biomedical applications
Y Liu, L Teng, B Yin, H Meng, X Yin, S Huan… - Chemical …, 2022 - ACS Publications
Photoacoustic (PA) imaging technology, a three-dimensional hybrid imaging modality that
integrates the advantage of optical and acoustic imaging, has great application prospects in …
integrates the advantage of optical and acoustic imaging, has great application prospects in …
[HTML][HTML] Oxidative stress and the amyloid beta peptide in Alzheimer's disease
C Cheignon, M Tomas, D Bonnefont-Rousselot… - Redox biology, 2018 - Elsevier
Oxidative stress is known to play an important role in the pathogenesis of a number of
diseases. In particular, it is linked to the etiology of Alzheimer's disease (AD), an age-related …
diseases. In particular, it is linked to the etiology of Alzheimer's disease (AD), an age-related …
Secondary nucleation in amyloid formation
M Törnquist, TCT Michaels, K Sanagavarapu… - Chemical …, 2018 - pubs.rsc.org
Nucleation of new peptide and protein aggregates on the surfaces of amyloid fibrils of the
same peptide or protein has emerged in the past two decades as a major pathway for both …
same peptide or protein has emerged in the past two decades as a major pathway for both …
Coarse-grained protein models and their applications
The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …
remains difficult for many protein systems. It is mostly due to the size of protein …
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 …
structural information on biomacromolecules but also a wealth of energetic information …
AlphaFold2: a role for disordered protein/region prediction?
The development of AlphaFold2 marked a paradigm-shift in the structural biology
community. Herein, we assess the ability of AlphaFold2 to predict disordered regions …
community. Herein, we assess the ability of AlphaFold2 to predict disordered regions …
Protein ensembles: how does nature harness thermodynamic fluctuations for life? The diverse functional roles of conformational ensembles in the cell
All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …
Effects of in vivo conditions on amyloid aggregation
One of the grand challenges of biophysical chemistry is to understand the principles that
govern protein misfolding and aggregation, which is a highly complex process that is …
govern protein misfolding and aggregation, which is a highly complex process that is …
Simulation studies of amyloidogenic polypeptides and their aggregates
IM Ilie, A Caflisch - Chemical reviews, 2019 - ACS Publications
Amyloids, fibrillar assembly of (poly) peptide chains, are associated with neurodegenerative
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …
illnesses such as Alzheimer's and Parkinson's diseases, for which there are no cures. The …