GONÇALVES, M. A.; GONCALVES, A. M. ; CUNHA, E. F. F. ; RAMALHO, T. C. Wavepress is a User-Friendly Toolkit for Computational Chemistry, Drug Design and Material Science. Journal Brazilian Chemical Society v. 0, p. 1, 2023.
GONÇALVES, M. A.; GONCALVES, A. M. ; CUNHA, E. F. F. ; RAMALHO, T. C. Investigating an Efficient and Accurate Protocol for Sampling Structures from Molecular Dynamics Simulations: A Close Look by Different Wavelet Families. THEORETICAL CHEMISTRY ACCOUNTS, v. 140, p. 1, 2021.
GONÇALVES, M. A.; SANTOS, L. S. ; PRATA, D. M. ; PEIXOTO, F. C. ; CUNHA, E. F. F. ; RAMALHO, T. C. Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes. Theoretical Chemistry Accounts (Print), v. 136, p. 1-15, 2017.
PEREIRA, B. T. L. ; SILVA, E. ; GONÇALVES, MATEUS AQUINO ; MANCINI, D. ; RAMALHO, T. C. Exploring EPR Parameters of Tc Complexes for Designing New MRI Probes: Coordination Environment, Solvent, and Thermal Effects on the Spectroscopic Properties. Journal of Chemistry, v. 2017, p. 1-8, 2017.
GONÇALVES, M. A.; SANTOS, L. S. ; PEIXOTO, F. C. ; CUNHA, E. F. F. ; SILVA, T. C. ; RAMALHO, T. C. Comparing Structure and Dynamics of Solvation of Different Iron Oxide Phases for Enhanced Magnetic Resonance Imaging. ChemistrySelect, v. 2, p. 10136-10142, 2017.
GONÇALVES, M. A.; SANTOS, L. S. ; PRATA, D. M. ; PEIXOTO, F. C. ; CUNHA, E. F. F. ; RAMALHO, T. C. Optimal wavelet signal compression as an efficient alternative to investigate molecular dynamics simulations: application to thermal and solvent effects of MRI probes. Theoretical Chemistry Accounts (Print), v. 136, p. 1-15, 2017.
Scientific Publications
