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A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics · Study

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ArticleA Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics

Shweta Purawat2017

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Articlebronze2017

A Kepler Workflow Tool for Reproducible AMBER GPU Molecular Dynamics

Shweta Purawat · Pek U. Ieong · Robert D. Malmstrom · Garrett J. Chan · Alan K. Yeung · Ross C. Walker +2 more

29 citations·0/0 files stored·Biophysical Journal

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Scientific Computing and Data Management Parallel Computing and Optimization Techniques Protein Structure and Dynamics

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References

2004Kepler: An Extensible System for Design and Execution of Scientific Workflows 2006Provenance Collection Support in the Kepler Scientific Workflow System 2012Challenges and approaches for distributed workflow-driven analysis of large-scale biological data

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2019Toward a Methodology and Framework for Workflow-Driven Team Science

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2012A Framework for Distributed Data-Parallel Execution in the Kepler Scientific Workflow Systemother · 3 shared references 2013Workflow Systems for Science: Concepts and Toolsarticle · 2 shared references 2012Challenges and approaches for distributed workflow-driven analysis of large-scale biological dataother · 2 shared references 2008Experience in using a process language to define scientific workflow and generate dataset provenanceother · 2 shared references 2011Online workflow management and performance analysis with Stampedeother · 2 shared references 2009Work flows in life sciencethesis · 2 shared references

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Year2017

Typearticle

Published2017-06-01

VenueBiophysical Journal

ISSN-L0006-3495

Languageen

Citations29

Files0 public / 0

ShelfScientific Computing and Data Management

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doi10.1016/j.bpj.2017.04.055

openalex_workW2718878673

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