Teaching argumentation and scientific discourse using the ribosomal peptidyl transferase reaction

Calculation of the standard binding free

Calculation of the standard binding free energy of sparsomycin to the ribosomal peptidyl-transferase P-site using molecular dynamics simulations with restraining potentials

✍ Xiaoxia Ge; Benoît Roux 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 781 KB

## Abstract The standard (absolute) binding free energy of the antibiotic sparsomycin with the 50S bacteria ribosomal subunit is calculated using molecular dynamics (MD) free energy perturbation (FEP) simulations with restraining potentials developed by Wang __et al.__ [Biophys. J. 91:2798–2814 (20