Binding Models of Aβ42 Peptide with Membranes Explored by Molecular Simulations
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00444
Abstract: One of the factors contributing to the toxicity of amyloid-β (Aβ) peptides is the destruction of membrane integrity through Aβ peptide-membrane interactions. The binding of Aβ peptides to membranes has been studied by experiments and… read more here.
Keywords: binding models; bilayer binding; bilayer; peptide bilayer ... See more keywords
Catalog of noninteracting tight-binding models with two energy bands in one dimension
Sign Up to like & getrecommendations! Published in 2023 at "Physical Review B"
DOI: 10.1103/physrevb.107.245401
Abstract: We classify Hermitian tight-binding models describing noninteracting electrons on a one-dimensional periodic lattice with two energy bands. To do this, we write a generalized Rice-Mele model with two orbitals per unit cell, including all possible… read more here.
Keywords: binding models; time; energy bands; tight binding ... See more keywords
Anyonic tight-binding models of parafermions and of fractionalized fermions
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.085113
Abstract: Parafermions are emergent quasi-particles which generalize Majorana fermions and possess intriguing anyonic properties. The theoretical investigation of effective models hosting them is gaining considerable importance in view of present-day condensed-matter realizations where they have been… read more here.
Keywords: anyonic tight; parafermions fractionalized; fractionalized fermions; tight binding ... See more keywords
Reliable methods for seamless stitching of tight-binding models based on maximally localized Wannier functions
Sign Up to like & getrecommendations! Published in 2019 at "Physical Review B"
DOI: 10.1103/physrevb.99.125117
Abstract: Maximally localized Wannier functions are localized orthogonal functions that can accurately represent given Bloch eigenstates of a periodic system at a low computational cost, thanks to the small size of each orbital. Tight-binding models based… read more here.
Keywords: maximally localized; models based; tight binding; wannier functions ... See more keywords
Binding Models of Copper(II) Thiosemicarbazone Complexes with Human Serum Albumin: A Speciation Study
Sign Up to like & getrecommendations! Published in 2021 at "Molecules"
DOI: 10.3390/molecules26092711
Abstract: Copper(II) complexes of thiosemicarbazones (TSCs) often exhibit anticancer properties, and their pharmacokinetic behavior can be affected by their interaction with blood transport proteins. Interaction of copper(II) complexes of an {N,N,S} donor α-N-pyridyl TSC (Triapine) and… read more here.
Keywords: serum albumin; human serum; tsc; binding models ... See more keywords