Time-dependent density functional theory

Quantum mechanics

Chemical physics

Perturbation theory (quantum mechanics)

Materials science

Density functional theory

Ephedrine

Receptor

Receptor tyrosine kinase

Biochemistry

Molecule

Drug

Physics

Organic chemistry

Molecular physics

Erythropoietin-producing hepatocellular (Eph) receptor

Molecular dynamics

Interaction energy

Pharmacology

Computational chemistry

Medicine

Chemistry

Fullerene

Physical Chemistry Chemical Physics

Interactions between fullerene C<sub>24</sub> and a frequently used supplement for sport activities, ephedrine (EPH), have been studied in detail by a combination of DFT, TDDFT and SAPT calculations, and MD simulations.

Fullerene C<sub>24</sub> as a potential carrier of ephedrine drug – a computational study of interactions and influence of temperature

Fullerene C24 as a potential carrier of ephedrine drug – a computational study of interactions and influence of temperature

Fullerene C₂₄ as a potential carrier of ephedrine drug – a computational study of interactions and influence of temperature