Cargando…
PubChem3D: Diversity of shape
BACKGROUND: The shape diversity of 16.4 million biologically relevant molecules from the PubChem Compound database and their 1.46 billion diverse conformers was explored as a function of molecular volume. RESULTS: The diversity of shape space was investigated by determining the shape similarity thre...
| Autores principales: | , , |
|---|---|
| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2011
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3072936/ https://www.ncbi.nlm.nih.gov/pubmed/21418625 http://dx.doi.org/10.1186/1758-2946-3-9 |