Carlos J. V. Simões

Designing optimized drug candidates with Generative Adversarial Network

Maryam Abbasi, Beatriz P. Santos, Tiago C. Pereira et al. · Journal of Cheminformatics · 2022 · 110 citations · Full text

Pharmacy, Medicinal Chemistry, Drug Design +15

Synthesis and structure-activity relationships of new chiral spiro-β-lactams highly active against HIV-1 and Plasmodium

Nuno G. Alves, Inês Bártolo, Américo J. S. Alves et al. · European Journal of Medicinal Chemistry · 2021 · 34 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +12

Potentially amyloidogenic conformational intermediates populate the unfolding landscape of transthyretin: Insights from molecular dynamics simulations

Joaquim Rui Rodrigues, Carlos J. V. Simões, Cândida G. Silva et al. · Protein Science · 2009 · 30 citations · Full text

Life Sciences, Biochemistry, Molecular Biology +17

Assessing the influence of electrostatic schemes on molecular dynamics simulations of secondary structure forming peptides

Luca Monticelli, Carlos J. V. Simões, Laura Belvisi et al. · Journal of Physics Condensed Matter · 2006 · 25 citations

Natural Sciences, Biochemistry, Biophysics +17

A novel bis-furan scaffold for transthyretin stabilization and amyloid inhibition

Carlos J. V. Simões, Zaida L. Almeida, Dora C. S. Costa et al. · European Journal of Medicinal Chemistry · 2016 · 20 citations · Full text

Life Sciences, Biochemistry, Medicinal Chemistry +16