Pharmacophore modeling, docking and molecular dynamics simulation for identification of novel human protein kinase C beta (PKCβ) inhibitors.

Sergiy A StarosylaGalyna P VolynetsMykola V ProtopopovVolodymyr G BdzholaDenis O PashevinValentyna O PolishchukTaisiia O KozakDmytro O StroiVictor E DosenkoSergiy M Yarmoluk

Published in: Structural chemistry (2022)

The online version contains supplementary material available at 10.1007/s11224-022-02075-y.

Keyphrases

molecular dynamics simulations
molecular docking
protein kinase
endothelial cells
molecular dynamics
social media
induced pluripotent stem cells
pluripotent stem cells
healthcare
protein protein
small molecule