Učitavanje...
Modeling Protein-Ligand Binding by Mining Minima
We present the first application of the mining minima algorithm to protein-small molecule binding. This end-point approach use an empirical force field and implicit solvent models, treats the protein binding-site as fully flexible and estimates free energies as sums over local energy wells. The calc...
Spremljeno u:
| Glavni autori: | , , , |
|---|---|
| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
2010
|
| Teme: | |
| Online pristup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3359898/ https://ncbi.nlm.nih.gov/pubmed/22639555 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100245n |
| Oznake: |
Dodaj oznaku
Bez oznaka, Budi prvi tko označuje ovaj zapis!
|