Carregant...
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules
Small-molecule protonation can promote or discourage protein binding by altering hydrogen-bond, electrostatic, and van-der-Waals interactions. To improve virtual-screen pose and affinity predictions, researchers must account for all major small-molecule ionization states. But existing programs for c...
Guardat en:
| Publicat a: | J Cheminform |
|---|---|
| Autors principals: | , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2019
|
| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6689865/ https://ncbi.nlm.nih.gov/pubmed/30767086 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0336-9 |
| Etiquetes: |
Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!
|