Tatiana F. Vieira

Comparing AutoDock and Vina in Ligand/Decoy Discrimination for Virtual Screening

Tatiana F. Vieira, Sérgio F. Sousa · Applied Sciences · 2019 · 140 citations · Full text

Engineering, Hit Identification, Peptide Science +20

Drug Repurposing Targeting Pseudomonas aeruginosa MvfR Using Docking, Virtual Screening, Molecular Dynamics, and Free-Energy Calculations

Tatiana F. Vieira, Rita P. Magalhães, Manuel Simões et al. · Antibiotics · 2022 · 48 citations · Full text

New carvacrol and thymol derivatives as potential insecticides: synthesis, biological activity, computational studies and nanoencapsulation

Carolina M. Natal, Maria José G. Fernandes, Nuno F. S. Pinto et al. · RSC Advances · 2021 · 42 citations · Full text

Analyzing PEGylation through Molecular Dynamics Simulations

Sérgio F. Sousa, J. Peres, Manuel A. N. Coelho et al. · ChemistrySelect · 2018 · 25 citations

Engineering, Computational Chemistry, Molecular Dynamics +19

Identification of novel candidates for inhibition of<i>LasR</i>, a quorum-sensing receptor of multidrug resistant<i>Pseudomonas aeruginosa</i>, through a specialized multi-level<i>in silico</i>approach

Rita P. Magalhães, Tatiana F. Vieira, André Melo et al. · Molecular Systems Design & Engineering · 2022 · 22 citations

Novel Candidates, Microbial Pathogens, Quorum-sensing Receptor +20