52 citations · 317 across the 31 of their papers we have counts for
6 papers · 1 filter
Confinement effects on protein stability in a freezing water environment
Yanis R. Espinosa, H. Ariel Alvarez, C. Manuel Carlevaro
Understanding how proteins behave at low temperatures remains a central challenge in biophysics, with direct implications for cold denaturation and cryopreservation. While cold den…
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
Understanding the molecular mechanisms by which denaturants modulate protein structure remains a central challenge in protein biophysics. In this study, molecular dynamics (MD) sim…
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…
Computational model for tumor response to adoptive cell transfer therapy
Luciana Melina Luque, Carlos Manuel Carlevaro, Enrique Rodríguez-Lomba +1
One of the barriers to the development of effective adoptive cell transfer therapies (ACT), specifically for genetically engineered T-cell receptors (TCRs), and chimeric antigen re…
Physics-based tissue simulator to model multicellular systems: A study of liver regeneration and hepatocellular carcinoma recurrence
Luciana Melina Luque, Carlos Manuel Carlevaro, Camilo Llamoza Torres +1
We present a multiagent-based model that captures the interactions between different types of cells with their microenvironment, and enables the analysis of the emergent global beh…
Behavior of H-FABP-fatty acid complex in a protein crystal simulation
Yanis R. Espinosa, H. Ariel Alvarez, Eduardo I. Howard +1
Crystallographic data comes from a space-time average over all the unit cells within the crystal, so dynamic phenomena do not contribute significantly to the diffraction data. Many…