Open access
Aug 2026
In Silico Decoding of Nonsteroidal Mineralocorticoid Receptor Antagonist Binding: Implications for Drug Design
An extensive computational study integrating induced fit docking (IFD) and molecular dynamics (MD) simulations across a comprehensive set of MRAs highlights key interactions responsible for binding affinity and offers insights into the molecular basis of selectivity and antagonism.
Felipe L. Pérez-Gordillo, L. E. Carpio, D. Álvarez de la Rosa et al.
· Journal of Chemical Informat... · 0 citations