A theoretical study of the binding of phenothiazine derivatives to residues 82-93 of calmodulin.

@article{Gresh1986ATS,
  title={A theoretical study of the binding of phenothiazine derivatives to residues 82-93 of calmodulin.},
  author={Nohad Gresh and B. Pullman},
  journal={Molecular pharmacology},
  year={1986},
  volume={29 4},
  pages={355-62}
}
A theoretical study was performed of the interaction of four phenothiazine derivatives, promethazine, promazine, trifluopromazine, and trifluoperazine, with a fragment (82-93) of calmodulin, held in the alpha-helical conformation. The computations were performed in the framework of the SIBFA 2 procedure (sum of interactions between fragments computed ab initio), which uses analytical formulas based on ab initio self-consistent field computations. The interaction energy is the sum of the… CONTINUE READING