ロード中...
Prediction of SAMPL3 Host-Guest Binding Affinities: Evaluating the Accuracy of Generalized Force-Fields
We used the second-generation mining minima method (M2) to compute the binding affinities of the novel host-guest complexes in the SAMPL3 blind prediction challenge. The predictions were in poor agreement with experiment, and we conjectured that much of the error might derive from the force field, C...
保存先:
| 主要な著者: | , |
|---|---|
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2012
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3383906/ https://ncbi.nlm.nih.gov/pubmed/22274835 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-012-9544-3 |
| 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!
|