Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes. - Denys E. S. Santos; Laercio Pol-Fachin; Roberto D. Lins; Thereza A. Soares (J. Chem. Inf. Model., 2017)

Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations. - Victor H. Rusu; Denys E. S. Santos; Marcelo Depólo Polêto; Marcelo Galheigo; Antônio Tadeu A. Gomes; Hugo Verli; Thereza A. Soares; Roberto D. Lins (J. Chem. Inf. Model., 2020)

SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. - Denys E. S. Santos; Frederico J. S. Pontes; Roberto D. Lins; Kaline Coutinho; Thereza A. Soares (J. Chem. Inf. Model., 2020)

Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape. - Denys E. S. Santos; Kaline Coutinho; Thereza A. Soares (J. Chem. Inf. Model., 2022)