Lataa...
Calculation of absolute protein–ligand binding free energy from computer simulations
A general methodology for calculating the equilibrium binding constant of a flexible ligand to a protein receptor is formulated on the basis of potentials of mean force. The overall process is decomposed into several stages that can be computed separately: the free ligand in the bulk is first restra...
Tallennettuna:
| Päätekijät: | , |
|---|---|
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
National Academy of Sciences
2005
|
| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1100764/ https://ncbi.nlm.nih.gov/pubmed/15867154 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0409005102 |
| Tagit: |
Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!
|