Φορτώνει......
Relative Binding Free Energy Calculations Applied to Protein Homology Models
A significant challenge and potential high-value application of computer-aided drug design is the accurate prediction of protein–ligand binding affinities. Free energy perturbation (FEP) using molecular dynamics (MD) sampling is among the most suitable approaches to achieve accurate binding free ene...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | J Chem Inf Model |
|---|---|
| Κύριοι συγγραφείς: | , , , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
2016
|
| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5777225/ https://ncbi.nlm.nih.gov/pubmed/28024402 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00362 |
| Ετικέτες: |
Προσθήκη ετικέτας
Δεν υπάρχουν, Καταχωρήστε ετικέτα πρώτοι!
|