ロード中...
Automated conformational energy fitting for force-field development
We present a general conformational-energy fitting procedure based on Monte Carlo simulated annealing (MCSA) for application in the development of molecular mechanics force fields. Starting with a target potential energy surface and an unparameterized molecular mechanics potential energy surface, an...
保存先:
| 主要な著者: | , |
|---|---|
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2008
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2864003/ https://ncbi.nlm.nih.gov/pubmed/18458967 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-008-0305-0 |
| 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!
|