Structural and energetic evolution of fibrinogen toward to the betablocker interactions.
González-Durruthy M, Scanavachi G, Rial R, Liu Z, Cordeiro MNDS, Itri R, Ruso JM.
González-Durruthy M, et al.
Int J Biol Macromol. 2019 Sep 15;137:405-419. doi: 10.1016/j.ijbiomac.2019.06.229. Epub 2019 Jun 29.
Int J Biol Macromol. 2019.
PMID: 31265849
The obtained free energy of binding (FEB) values for the docking complexes, namely acebutolol/fibrinogen E-region and propranolol/fibrinogen E-region, were very close and amounted to - 6.9 kcal/mol and - 6.8 kcal/mol, respectively. They were supported by a high binding-accuracy ( …
The obtained free energy of binding (FEB) values for the docking complexes, namely acebutolol/fibrinogen E-region and propranolol/fibrinogen …