Cargando…
PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations
Real-world observable physical and chemical characteristics are increasingly being calculated from the 3D structures of biomolecules. Methods for calculating pK(a) values, binding constants of ligands, and changes in protein stability are readily available, but often the limiting step in computation...
| Autores principales: | , , , , , , |
|---|---|
| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2007
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1933214/ https://www.ncbi.nlm.nih.gov/pubmed/17488841 http://dx.doi.org/10.1093/nar/gkm276 |