BiophysicsbioRxiv
Conserved conformational hierarchy across functionally divergent glycosyltransferases of the GT-B structural superfamily as determined from microsecond molecular dynamics
C. A. Ramirez-Mondragon, M. E. Nguyen, J. Milicaj…·Y. Y. Sham
The paper uses molecular dynamics simulations to show that conformational hierarchy in GT-B glycosyltransferases is conserved, with specific residue motions affecting substrate binding without altering catalytic efficiency.
DOI 10.3390/ijms22094619