| Disrupting a key hydrophobic pair in the oligomerization interface of the actinoporins impairs their pore‐forming activity H Mesa‐Galloso, KH Delgado‐Magnero, S Cabezas, A López‐Castilla, ... Protein Science 26 (3), 550-565, 2017 | 33 | 2017 |
| Dissecting a novel allosteric mechanism of cruzain: A computer-aided approach L Hernández Alvarez, DE Barreto Gomes, JE Hernandez Gonzalez, ... PLoS One 14 (1), e0211227, 2019 | 24 | 2019 |
| Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches L Hernandez Alvarez, D Naranjo Feliciano, JE Hernandez Gonzalez, ... PLoS neglected tropical diseases 9 (5), e0003759, 2015 | 21 | 2015 |
| Predicting binding modes of reversible peptide‐based inhibitors of falcipain‐2 consistent with structure–activity relationships JE Hernandez Gonzalez, L Hernández Alvarez, PG Pascutti, PA Valiente Proteins: Structure, Function, and Bioinformatics 85 (9), 1666-1683, 2017 | 18 | 2017 |
| Prediction of noncompetitive inhibitor binding mode reveals promising site for allosteric modulation of falcipain-2 JE Hernandez Gonzalez, L Hernández Alvarez, PG Pascutti, VBP Leite The Journal of Physical Chemistry B 123 (34), 7327-7342, 2019 | 15 | 2019 |
| Computational study on the allosteric mechanism of Leishmania major IF4E-1 by 4E-interacting protein-1: Unravelling the determinants of m7GTP cap recognition L Hernández-Alvarez, AB Oliveira Jr, JE Hernández-González, J Chahine, ... Computational and Structural Biotechnology Journal 19, 2027-2044, 2021 | 14 | 2021 |
| A computer-aided approach for the discovery of D-peptides as inhibitors of SARS-CoV-2 main protease JE Hernández González, RJ Eberle, D Willbold, MA Coronado Frontiers in molecular biosciences 8, 816166, 2022 | 13 | 2022 |
| Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures JE Hernández-González, E Salas-Sarduy, LFH Ramírez, MJ Pascual, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1862 (12), 2911-2923, 2018 | 12 | 2018 |
| Water bridges play a key role in affinity and selectivity for malarial protease falcipain-2 JE Hernández González, L Hernández Alvarez, VBP Leite, PG Pascutti Journal of Chemical Information and Modeling 60 (11), 5499-5512, 2020 | 10 | 2020 |
| Brown spider venom phospholipase-D activity upon different lipid substrates D Chaves-Moreira, LH Gremski, FR de Moraes, L Vuitika, ACM Wille, ... Toxins 15 (2), 109, 2023 | 8 | 2023 |
| In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2 JE Hernández González, E Salas-Sarduy, L Hernández Alvarez, ... Journal of Computer-Aided Molecular Design 35, 1067-1079, 2021 | 8 | 2021 |
| In silico Evaluation of Cucurbit[6]uril as a Potential Detector for Cocaine and Its Adulterants Lidocaine, Caffeine, and Procaine CHP Rodrigues, JE Hernández-González, NJ Pedrina, VBP Leite, ... Journal of the Brazilian Chemical Society 32 (4), 800-810, 2021 | 8 | 2021 |
| Polar desolvation and position 226 of pancreatic and neutrophil elastases are crucial to their affinity for the Kunitz-type inhibitors ShPI-1 and ShPI-1/K13L JE Hernández González, R García-Fernández, PA Valiente PloS one 10 (9), e0137787, 2015 | 6 | 2015 |
| Staphylococcus aureus Exfoliative Toxin E, Oligomeric State and Flip of P186: Implications for Its Action Mechanism C Gismene, JE Hernandez Gonzalez, ARN Santisteban, ... International Journal of Molecular Sciences 23 (17), 9857, 2022 | 5 | 2022 |
| Tetracycline derivatives inhibit plasmodial cysteine protease falcipain-2 through binding to a distal allosteric site JE Hernandez Gonzalez, LN Alberca, Y Masforrol Gonzalez, ... Journal of Chemical Information and Modeling 62 (1), 159-175, 2021 | 5 | 2021 |
| Three Decades of Targeting Falcipains to Develop Antiplasmodial Agents: What have we Learned and What can be Done Next? J González, E Salas-Sarduy, L Alvarez, P Valiente, R Arni, P Pascutti Current Medicinal Chemistry 31 (16), 2234-2263, 2024 | 3 | 2024 |
| Comparative Biochemical, Structural, and Functional Analysis of Recombinant Phospholipases D from Three Loxosceles Spider Venoms HC da Justa, JE Hernández González, L Vuitika, RB Mariutti, ... International Journal of Molecular Sciences 24 (15), 12006, 2023 | 3 | 2023 |
| Alchemical Calculation of Relative Free Energies for Charge-Changing Mutations at Protein–Protein Interfaces Considering Fixed and Variable Protonation States JE Hernández González, AS de Araujo Journal of Chemical Information and Modeling 63 (21), 6807-6822, 2023 | 2 | 2023 |
| Statistical approaches enabling technology-specific assay interference prediction from large screening data sets V Palmacci, S Hirte, JEH González, F Montanari, J Kirchmair Artificial Intelligence in the Life Sciences 5, 100099, 2024 | 1 | 2024 |
| A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor RB Mariutti, JE Hernández-González, AFZ Nascimento, MAB de Morais, ... Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (7), 129597, 2020 | 1 | 2020 |
