BioinformaticsbioRxivPreprint
Leveraging Deep Learning and MD Simulations to Decipher the Molecular Basis of Attenuated Activity in Glycocin F
Dheeraj Kumar Sarkar, Subinoy Adhikari, Avadhesha Surolia
This study uses deep learning and molecular dynamics to show how a single methylation change in Glycocin F drastically reduces its activity by altering its structural dynamics.
DOI 10.1101/2025.10.01.679699