Listar Producción Científica por autor "Inostroza, Diego"

Mostrando ítems 1-3 de 3

    • Article

      Deciphering the Molecular Interaction Process of Gallium Maltolate on SARS-CoV-2 Main and Papain-Like Proteases: A Theoretical Study (2024) 

      Taype-Huanca, Kevin; Osorio, Manuel I.; Inostroza, Diego; Leyva-Parra, Luis; Ruíz, Lina; Valderrama-Negrón, Ana; Alvarado-Huayhuaz, Jesús; Yañez, Osvaldo; Tiznado, William (Multidisciplinary Digital Publishing Institute (MDPI), 2024)
      This study explored the inhibitory potential of gallium maltolate against severe acute respiratory syndrome coronavirus 2 and main and papain-like proteases. Computational methods, including density functional theory and ...
    • Article

      Planar Elongated B12 Structure in M3B12 Clusters (M = Cu-Au) (2024) 

      Solar-Encinas, José; Vásquez-Espinal, Alejandro; Leyva-Parra, Luis; Yañez, Osvaldo; Inostroza, Diego; Valenzuela, Maria Luisa; Orellana, Walter; Tiznado, William (MDPI, 2023)
      Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment. This result is striking since this B12 planar structure is not ...
    • Article

      Searching for Systems with Planar Hexacoordinate Carbons (2024) 

      Inostroza, Diego; Leyva-Parra, Luis; Yañez, Osvaldo; Solar-Encinas, José; Vásquez-Espinal, Alejandro; Valenzuela, Maria Luisa; Tiznado, William (MDPI, 2023)
      Here, we present evidence that the D2h M2C50/2+ (M = Li-K, Be-Ca, Al-In, and Zn) species comprises planar hexacoordinate carbon (phC) structures that exhibit four covalent and two electrostatic interactions. These findings ...