𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Extraction of configurational entropy from molecular simulations via an expansion approximation

✍ Scribed by Killian, Benjamin J.; Yundenfreund Kravitz, Joslyn; Gilson, Michael K.


Book ID
120088110
Publisher
American Institute of Physics
Year
2007
Tongue
English
Weight
819 KB
Volume
127
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Efficient calculation of configurational
✍ Vladimir Hnizdo; Jun Tan; Benjamin J. Killian; Michael K. Gilson 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 211 KB

## Abstract Changes in the configurational entropies of molecules make important contributions to the free energies of reaction for processes such as protein‐folding, noncovalent association, and conformational change. However, obtaining entropy from molecular simulations represents a long‐standing