Loading...
Water in Cavity−Ligand Recognition
[Image: see text] We use explicit solvent molecular dynamics simulations to estimate free energy, enthalpy, and entropy changes along the cavity−ligand association coordinate for a set of seven model systems with varying physicochemical properties. Owing to the simplicity of the considered systems w...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical Society
2010
|
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2933114/ https://ncbi.nlm.nih.gov/pubmed/20695475 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja1050082 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|