Atomistic molecular dynamics simulations of tubulin heterodimers explain the motion of a microtubule
Sign Up to like & getrecommendations! Published in 2021 at "European Biophysics Journal"
DOI: 10.1007/s00249-021-01553-1
Abstract: Microtubules are essential parts of the cytoskeleton that are built by polymerization of tubulin heterodimers into a hollow tube. Regardless that their structures and functions have been comprehensively investigated in a modern soft matter, it… read more here.
Keywords: microtubule; tubulin heterodimers; molecular dynamics; atomistic molecular ... See more keywords
Molecular Basis of GLUT4 in Glucose Transport: Atomistic Molecular Dynamics Study
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2016.11.768
Abstract: The glucose transporter 4 (GLUT4) is one of the most important glucose transporter proteins for the absorption of glucose from the plasma circulation after a meal or during exercise. It is present in skeletal muscle,… read more here.
Keywords: molecular dynamics; glucose transporter; atomistic molecular; glucose transport ... See more keywords
Atomistic molecular dynamics study on the influence of high temperatures on the structure of peptide nanomembranes candidates for organic supercapacitor electrode
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2021.116126
Abstract: Abstract Recently, a series of organic structures formed by peptide self-assembly have been reported, among which stand out the peptide nanomembranes with promising applications in the energy storage field. In these applications, the nanomembranes can… read more here.
Keywords: atomistic molecular; dynamics study; study influence; molecular dynamics ... See more keywords
Phase behavior of aqueous polyacrylic acid solutions using atomistic molecular dynamics simulations of model oligomers
Sign Up to like & getrecommendations! Published in 2017 at "Polymer"
DOI: 10.1016/j.polymer.2017.03.007
Abstract: Abstract We have performed fully atomistic molecular dynamics simulations of aqueous solutions of a weak, pH-responsive polyelectrolyte, polyacrylic acid (PAA). Model oligomers of PAA of different tacticities, molecular weights, degrees of deprotonation, and deprotonation patterns… read more here.
Keywords: molecular dynamics; atomistic molecular; polyacrylic acid; model oligomers ... See more keywords
Counterion-Dependent Mechanisms of DNA Origami Nanostructure Stabilization Revealed by Atomistic Molecular Simulation
Sign Up to like & getrecommendations! Published in 2019 at "ACS Nano"
DOI: 10.1021/acsnano.9b05650
Abstract: The DNA origami technique has proven to have tremendous potential for therapeutic and diagnostic applications like drug delivery, but the relatively low concentrations of cations in physiological fluids cause destabilization and degradation of DNA origami… read more here.
Keywords: atomistic molecular; stabilization; dna origami; counterion dependent ... See more keywords
Unassisted N-acetyl-phenylalanine-amide transport across membrane with varying lipid size and composition: kinetic measurements and atomistic molecular dynamics simulation
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Biomolecular Structure and Dynamics"
DOI: 10.1080/07391102.2020.1827037
Abstract: Abstract Biological membranes are essential to preserve structural integrity and regulate functional properties through the permeability of nutrients, pharmaceutical drugs, and neurotransmitters of a living cell. The movement of acetylated and amidated phenylalanine (NAFA) across… read more here.
Keywords: size; membrane; dopc; atomistic molecular ... See more keywords
Atomic force microscope adhesion measurements and atomistic molecular dynamics simulations at different humidities
Sign Up to like & getrecommendations! Published in 2017 at "Measurement Science and Technology"
DOI: 10.1088/1361-6501/28/3/034004
Abstract: Due to their operation principle atomic force microscopes (AFMs) are sensitive to all factors affecting the detected force between the probe and the sample. Relative humidity is an important and often neglected—both in experiments and… read more here.
Keywords: atomistic molecular; measurement; atomic force; force ... See more keywords
Atomistic molecular dynamics simulations of bioactive engrailed 1 interference peptides (EN1-iPeps)
Sign Up to like & getrecommendations! Published in 2018 at "Oncotarget"
DOI: 10.18632/oncotarget.25025
Abstract: The neural-specific transcription factor Engrailed 1 - is overexpressed in basal-like breast tumours. Synthetic interference peptides - comprising a cell-penetrating peptide/nuclear localisation sequence and the Engrailed 1-specific sequence from the N-terminus have been engineered to… read more here.
Keywords: interference peptides; molecular dynamics; atomistic molecular; interference ... See more keywords
Fully Atomistic Molecular Dynamics Simulation of a TIPS-Pentacene:Polystyrene Mixed Film Obtained via the Solution Process
Sign Up to like & getrecommendations! Published in 2023 at "Nanomaterials"
DOI: 10.3390/nano13020312
Abstract: Organic thin-film transistors using small-molecule semiconductor materials such as 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-P) have been recently studied for the production of flexible and printed electronic devices. Blending a semiconductor with an insulating polymer, such as polystyrene, is… read more here.
Keywords: fully atomistic; molecular dynamics; atomistic molecular; film ... See more keywords