26 citations · 30 across the 13 of their papers we have counts for
6 papers · 1 filter
Polypeptide A9K at Nanoscale Carbon: Simulation Study
Vitaly V. Chaban, Andre Arruda, Eudes Eterno Fileti
An amphiphilic nature of the surfactant-like peptides is responsible for their propensity to aggregate at the nanoscale. These peptides can be readily used for a non-covalent funct…
Enhanced Stability of the Model Mini-protein in Amino Acid Ionic Liquids and Their Aqueous Solutions
Guillaume Chevrot, Eudes Eterno Fileti, Vitaly V. Chaban
Using molecular dynamics simulations, the structure of model mini-protein was thoroughly characterized in the imidazolium-based amino acid ionic liquids and their aqueous solutions…
Ionization of Cucurbiturils as a Pathway to More Stable Host-Guest Complexes
Vitaly V. Chaban, Eudes Eterno Fileti, Thaciana Malaspina
Cucurbiturils are particularly interesting to chemists, because these macrocyclic molecules are suitable hosts for an array of neutral and cationic species. It is believed that the…
Can Inorganic Salts Tune Electronic Properties of Graphene?
Guilherme Colherinhas, Eudes Eterno Fileti, Vitaly V. Chaban
Electronic properties of graphene quantum dots (GQDs) constitute a subject of intense scientific interest. Being smaller than 20 nm, GQDs contain confined excitons in all dimension…
Strong Electronic Polarization of the C60 Fullerene by the Imidazolium-Based Ionic Liquids: Accurate Insights from Born-Oppenheimer Molecular Dynamics Simulations
Vitaly V. Chaban, Eudes Eterno Fileti
Fullerenes are known to be polarizable due to the strained carbon-carbon bonds and high surface curvature. Electronic polarization of fullerenes is of steady practical importance,…
The Force Field for Amino Acid Based Ionic Liquids: Polar Residues
Eudes Eterno Fileti, Vitaly V. Chaban
Ionic liquids (ILs) constitute one of the most active fields of research nowadays. Many organic and inorganic molecules can be converted into ions via relatively simple procedures.…