Loading...
Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties
The convergence properties of the absolute single-molecule configurational entropy and the correction terms used to estimate it are investigated using microsecond molecular dynamics simulation of a peptide test system and an improved methodology. The results are compared with previous applications f...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical Society
2009
|
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2790395/ https://ncbi.nlm.nih.gov/pubmed/20011626 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900373z |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|