Loading...
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...
Na minha lista:
| Main Authors: | , , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2014
|
| Fag: | |
| Online adgang: | 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 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|