18 citations · 33 across the 5 of their papers we have counts for
5 papers
Synthesis of Polyglobalide by Enzymatic Ring Opening Polymerization Using Pressurized Fluids
Camila Guindani, Wilfred A. G. Jaramillo, Graziâni Candiotto +5
Here, the synthesis of polyglobalide (PGl) by enzymatic ring-opening polymerization (e-ROP) is investigated, using pressurized carbon dioxide (CO2), pressurized CO2 + dichlorometha…
Exponential Integrators for Phase-Field Equations using Pseudo-spectral Methods: A Python Implementation
Elvis do A. Soares, Amaro G. Barreto, Frederico W. Tavares
In this paper, we implement exponential integrators, specifically Integrating Factor (IF) and Exponential Time Differencing (ETD) methods, using pseudo-spectral techniques to solve…
Classical Density Functional Theory Reveals Structural Information of H2 and CH4 Fluids Adsorbed in MOF-5
Elvis do A. Soares, Amaro G. Barreto, Frederico W. Tavares
This study employs classical Density Functional Theory (cDFT) to investigate the adsorption isotherms and structural information of H2 and CH4 fluids inside MOF-5. The results indi…
A New Formulation for the Concerted Alchemical Calculation of van der Waals and Coulomb Components of Solvation Free Energies
Gabriela B. Correa, Jessica C. S. L. Maciel, Frederico W. Tavares +1
Alchemical free energy calculations via molecular dynamics have been widely used to obtain thermodynamic properties related to protein-ligand binding and solute-solvent interaction…
Attractive double-layer forces between neutral hydrophobic and neutral hydrophilic surfaces
Eduardo R. A. Lima, Mathias Boström, Nadine Schwierz +2
The interaction between surface patches of proteins with different surface properties has a vital role to play driving conformational changes of proteins in different salt solution…