TY - RPRT TI - Machine learning-augmented molecular dynamics simulations (MD) reveal insights into the disconnect between affinity and activation of ZTPriboswitch ligands AU - Fullenkamp, C. R. AU - Medhi, S. AU - Jones, C. P. AU - Tenney, L. AU - Pichling, P. AU - Prestwood, P. AU - Ferre-D'Amare, A. AU - Tiwary, P. S. AU - Schneekloth, J. S. PY - 2024 DO - 10.1101/2024.09.13.612887 UR - https://www.biorxiv.org/content/10.1101/2024.09.13.612887v1 ID - 10.1101/2024.09.13.612887 ER -