ロード中...
A Python tool to set up relative free energy calculations in GROMACS
Free energy calculations based on molecular dynamics (MD) simulations have seen a tremendous growth in the last decade. However, it is still difficult and tedious to set them up in an automated manner, as the majority of the present-day MD simulation packages lack that functionality. Relative free e...
保存先:
| 出版年: | J Comput Aided Mol Des |
|---|---|
| 主要な著者: | , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2015
|
| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4749424/ https://ncbi.nlm.nih.gov/pubmed/26487189 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-015-9873-0 |
| 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!
|