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Intuitive, reproducible high-throughput molecular dynamics in Galaxy: a tutorial
This paper is a tutorial developed for the data analysis platform Galaxy. The purpose of Galaxy is to make high-throughput computational data analysis, such as molecular dynamics, a structured, reproducible and transparent process. In this tutorial we focus on 3 questions: How are protein-ligand sys...
Autores principales: | Bray, Simon A., Senapathi, Tharindu, Barnett, Christopher B., Grüning, Björn A. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7488338/ https://www.ncbi.nlm.nih.gov/pubmed/33431030 http://dx.doi.org/10.1186/s13321-020-00451-6 |
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