A carregar...
The critical role of QM/MM X-ray refinement and accurate tautomer/protomer determination in structure-based drug design
Conventional protein:ligand crystallographic refinement uses stereochemistry restraints coupled with a rudimentary energy functional to ensure the correct geometry of the model of the macromolecule—along with any bound ligand(s)—within the context of the experimental, X-ray density. These methods ge...
Na minha lista:
| Publicado no: | J Comput Aided Mol Des |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2020
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8018927/ https://ncbi.nlm.nih.gov/pubmed/33108589 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00354-6 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|