𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Absolute free energies of biomolecules from unperturbed ensembles

✍ Scribed by Grigoryan, Gevorg

Book ID
121874655
Publisher
John Wiley and Sons
Year
2013
Tongue
English
Weight
810 KB
Volume
34
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Estimating relative free energies from a
Estimating relative free energies from a single ensemble: Hydration free energies
✍ SchοΏ½fer, Heiko; Van Gunsteren, Wilfred F.; Mark, Alan E. πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 280 KB

The ability to determine the free energy of solvation for a number of small organic molecules with varying sizes and properties from the coordinate trajectory of a single simulation of a given reference state was investigated. The relative free energies were estimated from a single step perturbation