From the 2 of 4 linked papers with an AI index.
4 papers
Confinement effects on protein stability in a freezing water environment
Yanis R. Espinosa, H. Ariel Alvarez, C. Manuel Carlevaro
The study uses molecular dynamics simulations to examine how ice formation around yeast frataxin changes its conformational landscape, showing that confinement by ice restricts pro…
Urea-Mediated Solvent Reorganization of Bovine Serum Albumin in an Acid-Induced Expanded Conformation at pH 3.7
Y. Ricardo Espinosa, C. Manuel Carlevaro, C. Gaston Ferrara
The paper uses molecular dynamics simulations to study how varying concentrations of urea affect the hydration shell and conformational flexibility of bovine serum albumin at acidi…
Confinement-controlled chase-escape dynamics
R. G. Rossatto, H. Ariel Alvarez, C. Manuel Carlevaro +1
We investigate a minimal chase-and-escape model on a two-dimensional square lattice with randomly distributed static obstacles, focusing on how geometric disorder controls collecti…
Molecular Mechanisms Underlying the Effects of Urea and the Structural Dynamics of Bovine Serum Albumin
Y. Ricardo Espinosa, C. Manuel Carlevaro, C. Gastón Ferrara
The disruption of protein structures by denaturants like urea is well studied, though its molecular mechanisms remain unclear. Using Molecular Dynamics (MD) simulations, we investi…