Myricetin protects Galleria mellonella against Staphylococcus aureus infection and inhibits multiple virulence factors LN Silva, GCA Da Hora, TA Soares, MS Bojer, H Ingmer, AJ Macedo, ... Scientific Reports 7 (1), 2823, 2017 | 106 | 2017 |
Effect of Vitamin K3 Inhibiting the Function of NorA Efflux Pump and Its Gene Expression on Staphylococcus aureus SR Tintino, VCA Souza, JMA Silva, CDM Oliveira-Tintino, PS Pereira, ... Membranes 10 (6), 130, 2020 | 43 | 2020 |
Molecular dynamics simulations of cetyltrimethylammonium bromide (CTAB) micelles and their interactions with a gold surface in aqueous solution JA Silva, RP Dias, GCA Hora, TA Soares, MR Meneghetti Journal of the Brazilian Chemical Society 29 (1), 191-199, 2018 | 38 | 2018 |
A review on the antimicrobial properties of lectins VJA Fonseca, AL Braga, J Ribeiro Filho, CS Teixeira, GCA da Hora, ... International journal of biological macromolecules 195, 163-178, 2022 | 31 | 2022 |
Outer membrane remodeling: the structural dynamics and electrostatics of rough lipopolysaccharide chemotypes RP Dias, GCA da Hora, M Ramstedt, TA Soares Journal of chemical theory and computation 10 (6), 2488-2497, 2014 | 30 | 2014 |
Effect of dimerization on the mechanism of action of aurein 1.2 EN Lorenzón, KA Riske, GF Troiano, GCA Da Hora, TA Soares, EM Cilli Biochimica et Biophysica Acta (BBA)-Biomembranes 1858 (6), 1129-1138, 2016 | 21 | 2016 |
The “pre-assembled state” of magainin 2 lysine-linked dimer determines its enhanced antimicrobial activity EN Lorenzón, TM Nobre, L Caseli, EM Cilli, GCA da Hora, TA Soares, ... Colloids and Surfaces B: Biointerfaces 167, 432-440, 2018 | 17 | 2018 |
Antimicrobial peptide induced colloidal transformations in bacteria-mimetic vesicles: combining in silico tools and experimental methods RVM Freire, Y Pillco-Valencia, GCA da Hora, M Ramstedt, L Sandblad, ... Journal of Colloid and Interface Science 596, 352-363, 2021 | 15 | 2021 |
Improving the accuracy and convergence of drug permeation simulations via machine-learned collective variables F Aydin, AEP Durumeric, GCA da Hora, JDM Nguyen, MI Oh, ... The Journal of Chemical Physics 155 (4), 2021 | 13 | 2021 |
Calculations of structures and reaction energy profiles of As2O3 and As4O6 species by quantum chemical methods GCA da Hora, RL Longo, JBP da Silva International Journal of Quantum Chemistry 112 (20), 3320-3324, 2012 | 13 | 2012 |
Membrane negative curvature induced by a hybrid peptide from pediocin PA-1 and plantaricin 149 as revealed by atomistic molecular dynamics simulations GCA Da Hora, NL Archilha, JLS Lopes, DM Müller, K Coutinho, R Itri, ... Soft Matter 12 (43), 8884-8898, 2016 | 10 | 2016 |
Antibacterial effect and evaluation of the inhibitory effect against efflux pump in Staphylococcus aureus by abietic acid: In vitro and in silico assays MG de Lima Silva, LYS da Silva, TS de Freitas, JE Rocha, RLS Pereira, ... Process Biochemistry 122, 363-372, 2022 | 6 | 2022 |
tICA-Metadynamics for Identifying Slow Dynamics in Membrane Permeation M Oh, GCA da Hora, JMJ Swanson Journal of Chemical Theory and Computation 19 (23), 8886-8900, 2023 | 5 | 2023 |
Myricetin protects Galleria mellonella against Staphylococcus aureus infection and inhibits multiple virulence factors. Sci Rep. 2017; 7 (1): 2823. doi LN Silva, GCA Da Hora, TA Soares, MS Bojer, H Ingmer, AJ Macedo S41598-017-02712-1, 0 | 5 | |
Lasso Peptides: Exploring the Folding Landscape of Nature’s Smallest Interlocked Motifs GCA da Hora, M Oh, MC Mifflin, L Digal, AG Roberts, JMJ Swanson Journal of the American Chemical Society, 2024 | 4 | 2024 |
Can membrane composition traffic toxins? Mycolactone and preferential membrane interactions GCA da Hora, JDM Nguyen, JMJ Swanson Biophysical Journal 121 (22), 4260-4270, 2022 | 4 | 2022 |
Indirect inhibitory activity of pyrogallol against the Tet (K) efflux pump by a membrane effect: In vitro and in silico approach JFS dos Santos, NS Macedo, DL de Sousa Junior, CRB dos Santos, ... Process Biochemistry 107, 138-144, 2021 | 2 | 2021 |
Unlocking bacterial defense: Exploring the potent inhibition of NorA efflux pump by coumarin derivatives in Staphylococcus aureus ALAR Martin, RLS Pereira, JE Rocha, PAM Farias, TS Freitas, ... Microbial Pathogenesis 190, 106608, 2024 | | 2024 |
One Descriptor to Fold Them All: Harnessing Intuition and Machine Learning to Identify Transferable Lasso Peptide Reaction Coordinates GCA da Hora, M Oh, JDM Nguyen, JMJ Swanson The Journal of Physical Chemistry B, 2024 | | 2024 |
Mycolactone A vs. B: Multiscale Simulations Reveal the Roles of Localization and Association in Isomer-Specific Toxicity JDM Nguyen, GCA da Hora, JMJ Swanson Toxins 15 (8), 486, 2023 | | 2023 |