Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21: A Machine-Learning-Aided Enhanced Sampling Study
Simone Aureli, Francesco Bellina, Valerio Rizzi, Francesco Luigi Gervasio
This study uses machine learning to simulate conformational changes in pre-miR21, showing how L50 affects its structure and suggesting a computational platform for inhibitor screening.
Journal of Chemical Information and Modeling · Nov 11, 2024Peer-reviewedBiophysics