Structure-based identification of GIRK2-PIP2 modulators among known drugs and metabolites using docking, MM-GBSA, ADMET, and molecular dynamics
Danko Jeremic, Lydia Jiménez‐Díaz, Juan D. Navarro‐López
The paper screens over one million compounds to identify GIRK2-PIP2 modulators using docking, MM-GBSA, ADMET, and molecular dynamics.