Elucidation of Molecular Interactions Between Drug-Polymer in Amorphous Solid Dispersion by a Computational Approach Using Molecular Dynamics Simulations.

Diah Lia AulifaAdnan Aly Al ShofwanSandra Megantara Taufik Muhammad FakihArif Budiman

Published in: Advances and applications in bioinformatics and chemistry : AABC (2024)

MD simulations helped in understanding the formation and interaction mechanisms of ASD formulations that were difficult to detect by experimental approaches.

Keyphrases

molecular dynamics simulations
molecular dynamics
autism spectrum disorder
molecular docking
attention deficit hyperactivity disorder
room temperature
intellectual disability
monte carlo
adverse drug
drug induced
emergency department
solid state