๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Binding of Organic Cations to a Cyclophane Host As Studied with Molecular Dynamics Simulations and Free Energy Calculations

โœ Scribed by Eriksson, Mats A. L.; Morgantini, Pierre-Yves; Kollman, Peter A.


Book ID
127294081
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
199 KB
Volume
103
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Calculation of the standard binding free
โœ Xiaoxia Ge; Benoรฎt Roux ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 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. 91:2798โ€“2814 (20