This work was supported by the National Natural Science Foundation of China (No.20336010) and the State Key Basic Research and Development Plan of China (No.2003CB716000).
The complex model of Thermus thermophilus xylose isomerase (TtXI) with D-xylose was constructed, and molecular dynamics (MD) simulations were carried out at 300 and 360 K for 10 ns by NAMD2.5. The radius of gyrati...