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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...

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Detalhes bibliográficos
Publicado no:J Cheminform
Main Authors: Bray, Simon A., Senapathi, Tharindu, Barnett, Christopher B., Grüning, Björn A.
Formato: Artigo
Idioma:Inglês
Publicado em: Springer International Publishing 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7488338/
https://ncbi.nlm.nih.gov/pubmed/33431030
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00451-6
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