Oscar E. A. Arce
A5084154725- Computational Drug Discovery Methods
- interferon and immune responses
- Protein Structure and Dynamics
- SARS-CoV-2 and COVID-19 Research
- Animal Virus Infections Studies
- Enzyme Structure and Function
- Biochemical and Molecular Research
- Tuberculosis Research and Epidemiology
- vaccines and immunoinformatics approaches
- Plant biochemistry and biosynthesis
Universidade Federal do Rio Grande
2022-2025
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...
A critical assessment of computational hit finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised chemists and data scientists used protein structure from fragment-screening paired with advanced machine learning methods each up 100 inhibitory ligands. Across all teams, 1957 compounds were predicted subsequently procured commercial catalogs...