Identifying the hierarchy of dynamic domains in proteins using the data of molecular dynamics simulations.
The Hierarchical Domain-Wise Alignment (HDWA) technique of domain identification in proteins is presented. HDWA is designed to identify hierarchically organized dynamic domains in proteins using the MD trajectories by eliminating systematic motions from MD trajectories recursively in a model-free manner. The method is tested on the proteins from different structural classes.
Yesylevskyy
Semen O
SO
Department of Physics of Biological Systems, Institute of Physics, National Academy of Sciences of Ukraine. Prospect Nauki, 46, Kiev-03039, Ukraine. yesint3@yahoo.com
D000465:Algorithms; D000818:Animals; D002417:Cattle; D019295:Computational Biology / Q000379:methods*; D006801:Humans; D056004:Molecular Dynamics Simulation; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry*; D016415:Sequence Alignment
D011506:Proteins