Investigating Ligand-Mediated Conformational Dynamics of Pre-miR21: A Machine-Learning-Aided Enhanced Sampling Study
S. Aureli, F. Bellina, V. Rizzi, F. L. 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.
bioRxiv · Jun 27, 2024Biophysics