D. Caetano

MassCCS: A High-Performance Collision Cross-Section Software for Large Macromolecular Assemblies

M. Skaf, Leandro Zanotto, Guido Araujo, 2023, J. Chem. Inf. Model..

Ion-Molecule Collision Cross-Section Simulation using Linked-cell and Trajectory Parallelization

M. Skaf, H. Yviquel, Leandro Zanotto, 2022, 2022 IEEE 34th International Symposium on Computer Architecture and High Performance Computing (SBAC-PAD).

Differential capacitance of an electric double layer with asymmetric solvent-mediated interactions: mean-field theory and Monte Carlo simulations.

S. May, M. Brown, G. Bossa, 2017, Physical chemistry chemical physics : PCCP.

Adsorption of Lysozyme Into a Charged Confining Pore

Andrey G. Cherstvy, R. Metzler, S. J. de Carvalho, 2021, bioRxiv.

pH and Charged Mutations Modulate Cold Shock Protein Folding and Stability: A Constant pH Monte Carlo Study.

F. D. da Silva, Vinícius M. de Oliveira, S. J. de Carvalho, 2019, Journal of chemical theory and computation.

Critical adsorption of multiple polyelectrolytes onto a nanosphere: splitting the adsorption–desorption transition boundary

Andrey G. Cherstvy, R. Metzler, S. J. de Carvalho, 2020, Journal of the Royal Society Interface.

Critical adsorption of periodic and random polyampholytes onto charged surfaces.

Andrey G. Cherstvy, R. Metzler, S. J. de Carvalho, 2017, Physical chemistry chemical physics : PCCP.