Transition metal ion interactions with disordered amyloid-β peptides in the pathogenesis of Alzheimer's disease: insights from computational chemistry studies
Monomers and oligomers of the amyloid-β peptide aggregate to form the fibrils found in the
brains of Alzheimer's disease patients. These monomers and oligomers are largely …
brains of Alzheimer's disease patients. These monomers and oligomers are largely …
Insights into the molecular mechanisms of Alzheimer's and Parkinson's diseases with molecular simulations: understanding the roles of artificial and pathological …
Amyloid-β and α-synuclein are intrinsically disordered proteins (IDPs), which are at the
center of Alzheimer's and Parkinson's disease pathologies, respectively. These IDPs are …
center of Alzheimer's and Parkinson's disease pathologies, respectively. These IDPs are …
Aurone synthase is a catechol oxidase with hydroxylase activity and provides insights into the mechanism of plant polyphenol oxidases
C Molitor, SG Mauracher… - Proceedings of the …, 2016 - National Acad Sciences
Tyrosinases and catechol oxidases belong to the family of polyphenol oxidases (PPOs).
Tyrosinases catalyze the o-hydroxylation and oxidation of phenolic compounds, whereas …
Tyrosinases catalyze the o-hydroxylation and oxidation of phenolic compounds, whereas …
Evolving approaches in glioma treatment: harnessing the potential of copper metabolism modulation
The key properties and high versatility of metal nanoparticles have shed new perspectives
on cancer therapy, with copper nanoparticles gaining great interest because of the ability to …
on cancer therapy, with copper nanoparticles gaining great interest because of the ability to …
Current challenges and limitations in the studies of intrinsically disordered proteins in neurodegenerative diseases by computer simulations
IY Akbayrak, SI Caglayan, Z Ozcan… - Current Alzheimer …, 2020 - ingentaconnect.com
Experiments face challenges in the analysis of intrinsically disordered proteins in solution
due to fast conformational changes and enhanced aggregation propensity. Computational …
due to fast conformational changes and enhanced aggregation propensity. Computational …
Paving the Way for Synthetic Intrinsically Disordered Polymers for Soft Robotics
Nature is full of examples of processes that, through evolution, have been perfected over the
ages to effectively use matter and sustain life. Here, we present our strategies for designing …
ages to effectively use matter and sustain life. Here, we present our strategies for designing …
Tyrosine Regulates β-Sheet Structure Formation in Amyloid-β42: A New Clustering Algorithm for Disordered Proteins
Our recent studies show that the single Tyr residue in the sequence of amyloid-β42 (Aβ42) is
reactive toward various ligands, including metals and adenosine trisphospate (see …
reactive toward various ligands, including metals and adenosine trisphospate (see …
Alanine scanning effects on the biochemical and biophysical properties of intrinsically disordered proteins: a case study of the histidine to alanine mutations in amyloid …
Alanine scanning is a tool in molecular biology that is commonly used to evaluate the
contribution of a specific amino acid residue to the stability and function of a protein …
contribution of a specific amino acid residue to the stability and function of a protein …
Partial hessian fitting for determining force constant parameters in molecular mechanics
R Wang, M Ozhgibesov, H Hirao - Journal of Computational …, 2016 - Wiley Online Library
We present a new protocol for deriving force constant parameters that are used in molecular
mechanics (MM) force fields to describe the bond‐stretching, angle‐bending, and dihedral …
mechanics (MM) force fields to describe the bond‐stretching, angle‐bending, and dihedral …
Zinc binding promotes greater hydrophobicity in Alzheimer's Aβ42 peptide than copper binding: Molecular dynamics and solvation thermodynamics studies
S Boopathi, P Dinh Quoc Huy… - Proteins: Structure …, 2020 - Wiley Online Library
The aggregation of Aβ42 peptides is considered as one of the main causes for the
development of Alzheimer's disease. In this context, Zn2+ and Cu2+ play a significant role in …
development of Alzheimer's disease. In this context, Zn2+ and Cu2+ play a significant role in …