Loading...
Funnel metadynamics as accurate binding free-energy method
A detailed description of the events ruling ligand/protein interaction and an accurate estimation of the drug affinity to its target is of great help in speeding drug discovery strategies. We have developed a metadynamics-based approach, named funnel metadynamics, that allows the ligand to enhance t...
Na minha lista:
| Main Authors: | , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2013
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3631651/ https://ncbi.nlm.nih.gov/pubmed/23553839 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1303186110 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|