Comparing AutoDock and Vina in ligand/decoy discrimination for virtual screening TF Vieira, SF Sousa Applied Sciences 9 (21), 4538, 2019 | 123 | 2019 |
New carvacrol and thymol derivatives as potential insecticides: Synthesis, biological activity, computational studies and nanoencapsulation CM Natal, MJG Fernandes, NFS Pinto, RB Pereira, TF Vieira, ... RSC advances 11 (54), 34024-34035, 2021 | 27 | 2021 |
The biofilms structural database RP Magalhães, TF Vieira, HS Fernandes, A Melo, M Simões, SF Sousa Trends in biotechnology 38 (9), 937-940, 2020 | 25 | 2020 |
Drug Repurposing Targeting Pseudomonas aeruginosa MvfR Using Docking, Virtual Screening, Molecular Dynamics, and Free-Energy Calculations TF Vieira, RP Magalhães, M Simões, SF Sousa Antibiotics 11 (2), 185, 2022 | 24 | 2022 |
Analyzing PEGylation through molecular dynamics simulations SF Sousa, J Peres, M Coelho, TF Vieira ChemistrySelect 3 (29), 8415-8427, 2018 | 21 | 2018 |
Amino alcohols from eugenol as potential semisynthetic insecticides: Chemical, biological, and computational insights RB Pereira, NFS Pinto, MJG Fernandes, TF Vieira, ARO Rodrigues, ... Molecules 26 (21), 6616, 2021 | 19 | 2021 |
A flow cytometric and computational approaches to carbapenems affinity to the different types of carbapenemases C Pina-Vaz, AP Silva, I Faria-Ramos, R Teixeira-Santos, D Moura, ... Frontiers in Microbiology 7, 1259, 2016 | 17 | 2016 |
Identification of novel candidates for inhibition of LasR, a quorum-sensing receptor of multidrug resistant Pseudomonas aeruginosa, through a specialized multi-level in silico … RP Magalhães, TF Vieira, A Melo, SF Sousa Molecular Systems Design & Engineering 7 (5), 434-446, 2022 | 16 | 2022 |
Selection of bis-indolyl pyridines and triphenylamines as new inhibitors of SARS-CoV-2 cellular entry by modulating the spike protein/ACE2 interfaces D Lapaillerie, C Charlier, V Guyonnet-Dupérat, E Murigneux, ... Antimicrobial Agents and Chemotherapy 66 (8), e00083-22, 2022 | 15 | 2022 |
Tailoring specialized scoring functions for more efficient virtual screening T Vieira, R Magalhaes, S Sousa Frontiers 2, 1-4, 2019 | 11 | 2019 |
In Silico Identification of Possible Inhibitors for Protein Kinase B (PknB) of Mycobacterium tuberculosis TF Vieira, FG Martins, JP Moreira, T Barbosa, SF Sousa Molecules 26 (20), 6162, 2021 | 8 | 2021 |
Liposomal formulations loaded with a eugenol derivative for application as insecticides: Encapsulation studies and in silico identification of protein targets MJG Fernandes, RB Pereira, ARO Rodrigues, TF Vieira, AG Fortes, ... Nanomaterials 12 (20), 3583, 2022 | 6 | 2022 |
Synthesis, computational and nanoencapsulation studies on eugenol-derived insecticides CMM Coelho, RB Pereira, TF Vieira, CM Teixeira, MJG Fernandes, ... New Journal of Chemistry 46 (30), 14375-14387, 2022 | 5 | 2022 |
In silico identification of novel PqsD inhibitors: promising molecules for quorum sensing interference in Pseudomonas aeruginosa TF Vieira, NM Cerqueira, M Simões, SF Sousa Molecular Systems Design & Engineering 9 (1), 7-19, 2024 | 2 | 2024 |
Synthesis, Insecticidal Activity and Computational Studies of Eugenol-Based Insecticides JRA Coelho, TF Vieira, RB Pereira, DM Pereira, EMS Castanheira, ... Chemistry Proceedings 12 (1), 46, 2022 | 2 | 2022 |
Targeting Pseudomonas aeruginosa MvfR in the battle against biofilm formation: a multi-level computational approach TF Vieira, RP Magalhães, NM Cerqueira, M Simões, SF Sousa Molecular Systems Design & Engineering 7 (10), 1294-1306, 2022 | 2 | 2022 |
Selection of a new peptide homing SK‐BR‐3 breast cancer cells AC Pereira, D Ferreira, C Santos‐Pereira, TF Vieira, SF Sousa, G Sales, ... Chemical Biology & Drug Design 97 (4), 893-903, 2021 | 2 | 2021 |
In silico identification of protein targets associated to the insecticide activity of Eugenol derivatives TF Vieira, MF Araújo, MJG Fernandes, DM Pereira, AG Fortes, ... Chemistry Proceedings 3 (1), 138, 2020 | 2 | 2020 |
Dual action of benzaldehydes: Inhibiting quorum sensing and enhancing antibiotic efficacy for controlling Pseudomonas aeruginosa biofilms MM Leitão, TF Vieira, SF Sousa, F Borges, M Simões, A Borges Microbial Pathogenesis 191, 106663, 2024 | 1 | 2024 |
The widely used cymoxanil fungicide impairs respiration in Saccharomyces cerevisiae via cytochrome c oxidase inhibition F Mendes, C Pereira, T Vieira, M Pinto, B Castro, S Sousa, MJ Sousa, ... bioRxiv, 2024.02. 29.582674, 2024 | 1 | 2024 |