Toward accurate simulation of coupling between protein secondary structure and phase separation
Intrinsically disordered proteins (IDPs) frequently mediate phase separation that underlies
the formation of a biomolecular condensate. Together with theory and experiment, efficient …
the formation of a biomolecular condensate. Together with theory and experiment, efficient …
Crosstalk between protein post-translational modifications and phase separation
Y Liu, W Feng, Y Wang, B Wu - Cell Communication and Signaling, 2024 - Springer
The phenomenon of phase separation is quite common in cells, and it is involved in multiple
processes of life activities. However, the current research on the correlation between protein …
processes of life activities. However, the current research on the correlation between protein …
Machine learning subtle conformational change due to phosphorylation in intrinsically disordered proteins
S Adhikari, J Mondal - The Journal of Physical Chemistry B, 2023 - ACS Publications
Phosphorylation of intrinsically disordered proteins/regions (IDPs/IDRs) has a profound
effect in biological functions such as cell signaling, protein folding or unfolding, and long …
effect in biological functions such as cell signaling, protein folding or unfolding, and long …
Coarse-Grained Modeling of Liquid–Liquid Phase Separation in Cells: Challenges and Opportunities
S Shi, L Zhao, ZY Lu - The Journal of Physical Chemistry Letters, 2024 - ACS Publications
Liquid–liquid phase separation (LLPS) within cells gives rise to membraneless organelles,
which play pivotal roles in numerous cellular functions. A comprehensive understanding of …
which play pivotal roles in numerous cellular functions. A comprehensive understanding of …
Dissecting how ALS-associated D290V mutation enhances pathogenic aggregation of hnRNPA2286–291 peptides: Dynamics and conformational ensembles
The aggregation of RNA binding proteins, including hnRNPA1/2, TDP-43 and FUS, is
heavily implicated in causing or increasing disease risk for a series of neurodegenerative …
heavily implicated in causing or increasing disease risk for a series of neurodegenerative …
Dissecting the molecular mechanisms of the co-aggregation of Aβ40 and Aβ42 peptides: a REMD simulation study
The aggregation of amyloid-β protein (Aβ) into oligomers and amyloid fibrils is closely
related to Alzheimer's disease (AD). Aβ40 and Aβ42, as two most prominent isoforms of Aβ …
related to Alzheimer's disease (AD). Aβ40 and Aβ42, as two most prominent isoforms of Aβ …
Atomistic Insights into the Inhibitory Mechanism of Tyrosine Phosphorylation against the Aggregation of Human Tau Fragment PHF6
Y Zou, L Guan, J Tan, B Qi, Y Wang… - The Journal of …, 2023 - ACS Publications
Abnormal aggregation of the microtubule-associated protein tau into intracellular fibrillary
inclusions is characterized as the hallmark of tauopathies, including Alzheimer's disease …
inclusions is characterized as the hallmark of tauopathies, including Alzheimer's disease …
Atomistic insights into A315E mutation-enhanced pathogenicity of TDP-43 core fibrils
The aggregation of TAR DNA-binding protein of 43 kDa (TDP-43) into fibrillary deposits is
implicated in amyotrophic lateral sclerosis (ALS), and some hereditary mutations localized in …
implicated in amyotrophic lateral sclerosis (ALS), and some hereditary mutations localized in …
ALS-Linked A315T and A315E Mutations Enhance β-Barrel Formation of the TDP-43307–319 Hexamer: A REST2 Simulation Study
Pathogenic mutations of transactivation response element DNA-binding protein 43 (TDP-43)
are closely linked with amyotrophic lateral sclerosis (ALS). It was recently reported that two …
are closely linked with amyotrophic lateral sclerosis (ALS). It was recently reported that two …
Influence of ALS‐linked M337V mutation on the conformational ensembles of TDP‐43321–340 peptide monomer and dimer
The transactive response (TAR) DNA/RNA‐binding protein 43 (TDP‐43) can self‐assemble
into both functional stress granules via liquid–liquid phase separation (LLPS) and …
into both functional stress granules via liquid–liquid phase separation (LLPS) and …