Načítá se...
The incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery
Proteins fluctuate between alternative conformations, which presents a challenge for ligand discovery because such flexibility is difficult to treat computationally owing to problems with conformational sampling and energy weighting. Here, we describe a flexible-docking method that samples and weigh...
Uloženo v:
| Hlavní autoři: | , , , |
|---|---|
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2014
|
| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4144196/ https://ncbi.nlm.nih.gov/pubmed/24950326 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/nchem.1954 |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|