A carregar...
A Molecular Mechanics Approach to Modeling Protein-Ligand Interactions: Relative Binding Affinities in Congeneric Series
We introduce the “Prime-ligand” method for ranking ligands in congeneric series. The method employs a single scoring function, the OPLS-AA/GBSA molecular mechanics/implicit solvent model, for all stages of sampling and scoring. We evaluate the method using 12 test sets of congeneric series for which...
Na minha lista:
| Main Authors: | , , , , |
|---|---|
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3183355/ https://ncbi.nlm.nih.gov/pubmed/21780805 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200033n |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|