Lataa...
Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics
Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligan...
Tallennettuna:
| Julkaisussa: | J Phys Chem B |
|---|---|
| Päätekijät: | , , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2015
|
| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4664157/ https://ncbi.nlm.nih.gov/pubmed/26181208 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.5b04262 |
| Tagit: |
Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!
|