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Gabriel C A da Hora

Explore the profile of Gabriel C A da Hora including associated specialties, affiliations and a list of published articles. Areas
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Articles 13
Citations 70
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Recent Articles
1.
Nguyen J, da Hora G, Mifflin M, Roberts A, Swanson J
bioRxiv . 2025 Feb; PMID: 39896618
Significance: Lasso peptides are a unique class of ribosomally synthesized and post-translationally modified natural products with diverse biological activities and potential for therapeutic applications. Although direct synthesis would facilitate therapeutic...
2.
da Hora G, Oh M, Nguyen J, Swanson J
J Phys Chem B . 2024 Apr; 128(17):4063-4075. PMID: 38568862
Identifying optimal reaction coordinates for complex conformational changes and protein folding remains an outstanding challenge. This study combines collective variable (CV) discovery based on chemical intuition and machine learning with...
3.
da Hora G, Oh M, Mifflin M, Digal L, Roberts A, Swanson J
J Am Chem Soc . 2024 Jan; 146(7):4444-4454. PMID: 38166378
Lasso peptides make up a class of natural products characterized by a threaded structure. Given their small size and stability, chemical synthesis would offer tremendous potential for the development of...
4.
Oh M, da Hora G, Swanson J
J Chem Theory Comput . 2023 Nov; 19(23):8886-8900. PMID: 37943658
Molecular simulations are commonly used to understand the mechanism of membrane permeation of small molecules, particularly for biomedical and pharmaceutical applications. However, despite significant advances in computing power and algorithms,...
5.
Oh M, da Hora G, Swanson J
bioRxiv . 2023 Aug; PMID: 37645884
Molecular simulations are commonly used to understand the mechanism of membrane permeation of small molecules, particularly for biomedical and pharmaceutical applications. However, despite significant advances in computing power and algorithms,...
6.
Nguyen J, da Hora G, Swanson J
Toxins (Basel) . 2023 Aug; 15(8). PMID: 37624243
Mycolactone is an exotoxin produced by that causes the neglected tropical skin disease Buruli ulcer. This toxin inhibits the Sec61 translocon in the endoplasmic reticulum (ER), preventing the host cell...
7.
Nguyen J, da Hora G, Swanson J
bioRxiv . 2023 Jun; PMID: 37292660
Mycolactone is an exotoxin produced by that causes the neglected tropical skin disease Buruli ulcer. This toxin inhibits the Sec61 translocon in the endoplasmic reticulum (ER), preventing the host cell...
8.
da Hora G, Nguyen J, Swanson J
Biophys J . 2022 Oct; 121(22):4260-4270. PMID: 36258678
Mycolactone is a cytotoxic and immunosuppressive macrolide produced by Mycobacterium ulcerans and the sole causative agent of the neglected tropical skin disease Buruli ulcer. The toxin acts by invading host...
9.
Fonseca V, Braga A, Filho J, Teixeira C, da Hora G, Bezerra Morais-Braga M
Int J Biol Macromol . 2021 Dec; 195:163-178. PMID: 34896466
Lectins are biologically versatile biomolecules with remarkable antimicrobial effects, notably against bacteria, fungi and protozoa, in addition to modulating host immunity. For this, the lectins bind to carbohydrates on the...
10.
Aydin F, Durumeric A, da Hora G, Nguyen J, Oh M, Swanson J
J Chem Phys . 2021 Aug; 155(4):045101. PMID: 34340389
Understanding the permeation of biomolecules through cellular membranes is critical for many biotechnological applications, including targeted drug delivery, pathogen detection, and the development of new antibiotics. To this end, computer...