| Amino acid deprivation using enzymes as a targeted therapy for cancer and viral infections HS Fernandes, CS Silva Teixeira, PA Fernandes, MJ Ramos, N Cerqueira Expert opinion on therapeutic patents 27 (3), 283-297, 2017 | 78 | 2017 |
| VMD store–A VMD plugin to browse, discover, and install VMD extensions HS Fernandes, SF Sousa, NM Cerqueira Journal of Chemical Information and Modeling 59 (11), 4519-4523, 2019 | 45 | 2019 |
| molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software H S. Fernandes, MJ Ramos, N MFSA Cerqueira Journal of Computational Chemistry 39 (19), 1344-1353, 2018 | 40 | 2018 |
| The catalytic mechanism of the pyridoxal‐5′‐phosphate‐dependent enzyme, histidine decarboxylase: A computational study HS Fernandes, MJ Ramos, NM Cerqueira Chemistry–A European Journal 23 (38), 9162-9173, 2017 | 40 | 2017 |
| Catalytic mechanism of the serine hydroxymethyltransferase: a computational ONIOM QM/MM study HS Fernandes, MJ Ramos, NM Cerqueira ACS Catalysis 8 (11), 10096-10110, 2018 | 38 | 2018 |
| The biofilms structural database RP Magalhães, TF Vieira, HS Fernandes, A Melo, M Simões, SF Sousa Trends in biotechnology 38 (9), 937-940, 2020 | 23 | 2020 |
| The complete catalytic mechanism of xanthine oxidase: a computational study PMG Ribeiro, HS Fernandes, LB Maia, SF Sousa, JJG Moura, ... Inorganic Chemistry Frontiers 8 (2), 405-416, 2021 | 21 | 2021 |
| New insights into the catalytic mechanism of the SARS-CoV-2 main protease: An ONIOM QM/MM approach HS Fernandes, SF Sousa, NM Cerqueira Molecular Diversity 26 (3), 1373-1381, 2022 | 19 | 2022 |
| Developing and Using BioSIMAR, an Augmented Reality Program to Visualize and Learn about Chemical Structures in a Virtual Environment on Any Internet … HS Fernandes, NM Cerqueira, SF Sousa Journal of Chemical Education 98 (5), 1789-1794, 2021 | 17 | 2021 |
| In Silico, In Vitro and In Cellulo Models for Monitoring SARS-CoV-2 Spike/Human ACE2 Complex, Viral Entry and Cell Fusion D Lapaillerie, C Charlier, HS Fernandes, SF Sousa, P Lesbats, P Weigel, ... Viruses 13 (3), 365, 2021 | 15 | 2021 |
| Formation of unstable and very reactive chemical species catalyzed by metalloenzymes: a mechanistic overview HS Fernandes, CSS Teixeira, SF Sousa, NM Cerqueira Molecules 24 (13), 2462, 2019 | 15 | 2019 |
| Cerqueira NMFSA HS Fernandes, CSS Teixeira, PA Fernandes, MJ Ramos Amino acid deprivation using enzymes as a targeted therapy for cancer and …, 2017 | 12 | 2017 |
| 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 | 11 | 2022 |
| LegionellaDB–a database on legionella outbreaks IG Gonçalves, HS Fernandes, A Melo, SF Sousa, LC Simoes, M Simoes Trends in Microbiology 29 (10), 863-866, 2021 | 11 | 2021 |
| Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters SB Marković, N Maciejewska, M Olszewski, A Višnjevac, A Puerta, ... European journal of medicinal chemistry 238, 114449, 2022 | 9 | 2022 |
| The milk-derived lactoferrin inhibits V-ATPase activity by targeting its V1 domain C Santos-Pereira, JF Rocha, HS Fernandes, LR Rodrigues, M Corte-Real, ... International Journal of Biological Macromolecules 186, 54-70, 2021 | 9 | 2021 |
| Zn (II) complexes with thiazolyl–hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity JB Araškov, A Višnjevac, J Popović, V Blagojević, HS Fernandes, ... CrystEngComm 24 (29), 5194-5214, 2022 | 8 | 2022 |
| The critical role of Asp206 stabilizing residues on the catalytic mechanism of the Ideonella sakaiensis PETase RP Magalhães, HS Fernandes, SF Sousa Catalysis Science & Technology 12 (11), 3474-3483, 2022 | 8 | 2022 |
| Development of neuropeptide Y and cell-penetrating peptide MAP adsorbed onto lipid nanoparticle surface S Silva, J Marto, LM Gonçalves, HS Fernandes, SF Sousa, AJ Almeida, ... Molecules 27 (9), 2734, 2022 | 7 | 2022 |
| A molecular mechanics energy partitioning software for biomolecular systems HS Fernandes, NM Cerqueira, SF Sousa, A Melo Molecules 27 (17), 5524, 2022 | 4 | 2022 |
Sergio F. SousaBioSIM, Universidade do PortoVerified email at med.up.pt
