Cargando...
Testing inhomogeneous solvation theory in structure-based ligand discovery
Binding-site water is often displaced upon ligand recognition, but is commonly neglected in structure-based ligand discovery. Inhomogeneous solvation theory (IST) has become popular for treating this effect, but it has not been tested in controlled experiments at atomic resolution. To do so, we turn...
Gardado en:
| Publicado en: | Proc Natl Acad Sci U S A |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
National Academy of Sciences
2017
|
| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5565424/ https://ncbi.nlm.nih.gov/pubmed/28760952 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1703287114 |
| Tags: |
Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!
|