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A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics
With the drive toward high throughput molecular dynamics (MD) simulations involving ever-greater numbers of simulation replicates run for longer, biologically relevant timescales (microseconds), the need for improved computational methods that facilitate fully automated MD workflows gains more impor...
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| 出版年: | Biophys J |
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| 主要な著者: | , , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
The Biophysical Society
2017
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5479118/ https://ncbi.nlm.nih.gov/pubmed/28636905 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2017.04.055 |
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