Molecular Dynamics Free Energy
Key Facts
Abbreviation
MDFE
Pronunciation
/məˈlɛkjələr daɪˈnæmɪks fri ˈɛnərʤi/
Category
Governmental
Related Field
Energy
Examples in Context
- Molecular Dynamics Simulations and Free Energy Calculation on Glutamine-binding Protein
- Combining molecular dynamics ( MD ) simulation and free energy calculation methods, we explored the atomistic mechanism of the phosphorylation induced dimer dissociation.
- Molecular dynamics simulation and thermodynamic integration method were used to calculate the absolute binding free energy of the protein - ligand complex.