2025 · Bioinformatics Advances
Zepyros: a webserver to evaluate the shape complementarity of protein–protein interfaces
A web-based tool for measuring molecular surface complementarity at protein–protein interfaces using structural information and Zernike polynomial analysis.
View publication →2022 · Communications Biology
Inferring the stabilization effects of SARS-CoV-2 variants on the binding with ACE2 receptor
Molecular dynamics simulations to characterize how spike protein mutations affect ACE2 binding stability, interface interactions and molecular properties.
View publication →2022 · ACS Omega
Computational modeling of the thermodynamics of Trp-cage miniprotein mutants
Molecular dynamics simulations combined with statistical mechanical approaches to investigate folding–unfolding thermodynamics of protein mutants.
View publication →