Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Model Building and Molecular Dynamics Studies
(A) Model of TLK1B kinase domain.
(B) Protein RMSD for TLK1B over 1-μs simulation.
(C) Ligand RMSD of J54 (black) and THD (red) in post-docking simulation for 100 ns.
(D) Docking score and computed free energy for predicted pose of ligand bound to TLK1 or D2 receptor proteins. Standard deviations in parenthesis. Energies in Kcal/mol.
