Loading...
Calculation of protein–ligand binding free energy by using a polarizable potential
The binding of charged ligands benzamidine and diazamidine to trypsin was investigated by using a polarizable potential energy function and explicit-water molecular dynamics simulations. The binding free energies were computed from the difference between the free energies of decoupling the ligand fr...
Na minha lista:
| Main Authors: | , , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
National Academy of Sciences
2008
|
| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2359813/ https://ncbi.nlm.nih.gov/pubmed/18427113 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0711686105 |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|