Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: Comparison of structural changes of glutamate receptor 2 (GluR2) during simulation. The green line indicates the crystal structure of GluR2. The blue and red lines represent the structure at 0.4 and 1.2 ns, respectively. The black line represents the final structure of GluR2 at 3.0 ns. The arrows represent the direction of structural change.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques: Comparison

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The docking result of ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal system. The red and black balls represent oxygen and carbon atoms. The black line represents backbone of GluR2.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques:

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The snapshot of molecular dynamics simulation in ( a ) PHF; ( b ) HMB; ( c ) DHMBP; ( d ) cerbinal systems. The red, black and grey balls represent oxygen, carbon and hydrogen atoms. The black line represents backbone of GluR2.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques:

Journal: International Journal of Molecular Sciences

Article Title: Computational Investigation into the Interactions of Traditional Chinese Medicine Molecules of WenQingYin with GluR2

doi: 10.3390/ijms18071443

Figure Lengend Snippet: The backbone of GluR2 in cerbinal system at 2.0 ns and 4.0 ns. The black line is 2.0 ns and the gray line is 4.0 ns. The distance between A455 and R660 is shown.

Article Snippet: Molecular dockings of the four selected ligand molecules to pre-MD-simulated GluR2 was performed with AutoDock 4.2 software (The Scripps Research Institute).

Techniques: