Chargement en cours...
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...
Enregistré dans:
| Auteurs principaux: | , , |
|---|---|
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
American Chemical Society
2010
|
| Accès en ligne: | 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: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|