ロード中...
Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors
Monte Carlo free energy perturbation (MC/FEP) calculations have been applied to compute the relative binding affinities of 17 congeneric pyridazo-pyrimidinone inhibitors of the protein p38α MAP kinase. Overall correlation with experiment was found to be modest when the complexes were hydrated using...
保存先:
| 主要な著者: | , , , |
|---|---|
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2010
|
| 主題: | |
| オンライン・アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3029023/ https://ncbi.nlm.nih.gov/pubmed/21278915 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100504h |
| タグ: |
タグ追加
タグなし, このレコードへの初めてのタグを付けませんか!
|