Alejandro Castro‐Álvarez

The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures

Alejandro Castro‐Álvarez, Anna M. Costa, Jaume Vilarrasa · Molecules · 2017 · 228 citations · Full text

Crystal Structure, Several Docking Programs, Engineering +23

High performance single-molecule magnets, Orbach or Raman relaxation suppression?

Alejandro Castro‐Álvarez, Yolimar Gil, Leonel Llanos et al. · Inorganic Chemistry Frontiers · 2020 · 124 citations

Relaxation Process, Magnetic Properties, Engineering +24

Human Bocavirus Capsid Structure: Insights into the Structural Repertoire of the <i>Parvoviridae</i>

Brittney L. Gurda, Kristin N. Parent, Heather Bladek et al. · Journal of Virology · 2010 · 89 citations · Full text

Mechanisms behind the enhancement of thermal properties of graphene nanofluids

María del Rocío Rodríguez-Laguna, Alejandro Castro‐Álvarez, Marianna Sledzinska et al. · Nanoscale · 2018 · 57 citations · Full text

Importance of the Electron Correlation and Dispersion Corrections in Calculations Involving Enamines, Hemiaminals, and Aminals. Comparison of B3LYP, M06-2X, MP2, and CCSD Results with Experimental Data

Alejandro Castro‐Álvarez, Héctor Carneros, Dani Sánchez et al. · The Journal of Organic Chemistry · 2015 · 36 citations

Engineering, Mp2 Calculations, Organic Chemistry +19