ロード中...
Investigation of Multipole Electrostatics in Hydration Free Energy Calculations
Hydration free energy (HFE) is generally used for evaluating molecular solubility, which is an important property for pharmaceutical and chemical engineering processes. Accurately predicting HFE is also recognized as one fundamental capability of molecular mechanics force field. Here we present a sy...
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/PMC3073856/ https://ncbi.nlm.nih.gov/pubmed/20925089 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jcc.21681 |
| 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!
|