OBIOL, D.J.; VIETRI, A.; MUNAFÓ, J.P.; COSTABEL, M.D.; ANTOLLINI, S.S.

In silico exploration of cholinergic activity and neuroprotection of novel caffeine analogues

BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS; Año: 2025 vol. 750

OBIOL, DIEGO J.; AMUNDARAIN, MARÍA J.; ZAMARREÑO, FERNANDO; VIETRI, AGUSTÍN; ANTOLLINI, SILVIA S.; COSTABEL, MARCELO D.

Oleic Acid Could Act as a Channel Blocker in the Inhibition of nAChR: Insights from Molecular Dynamics Simulations

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2024 vol. 128 p. 2398 - 2411

AMUNDARAIN, MARÍA J.; VIETRI, AGUSTÍN; DODERO, VERÓNICA I.; COSTABEL, MARCELO D.

IDP Force Fields Applied to Model PPII-Rich 33-mer Gliadin Peptides

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2023 vol. 127 p. 2407 - 2417