Cargando…
ProLIF: a library to encode molecular interactions as fingerprints
Interaction fingerprints are vector representations that summarize the three-dimensional nature of interactions in molecular complexes, typically formed between a protein and a ligand. This kind of encoding has found many applications in drug-discovery projects, from structure-based virtual-screenin...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8466659/ https://www.ncbi.nlm.nih.gov/pubmed/34563256 http://dx.doi.org/10.1186/s13321-021-00548-6 |