Enhancing Protein-Drug Binding Prediction
Combining molecular simulation and eScience technologies
MDStudio
A tool to run molecular dynamics workflows.
10
mentions
4
contributors
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What MDStudio can do for you
- Molecular dynamics workflow creation and execution for biochemists
- Micro-service based workflow management system
- Flexible, interactive workflow execution locally or on HPC
- Support for ATB, Gromacs, PLANTS, Paradocks, and many other tools
MDStudio provides biochemistry researchers in science and industry with the easiest and most flexible solution to running molecular dynamics-based workflows. It is community-developed open source software.
Tags
Programming Language
- Python
License
- Apache-2.0
Source code
Participating organizations
Mentions
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MDStudio, microservice based molecular dynamics workflowsOctober 11, 2017
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Presentation at National eScience SymposiumOctober 13, 2016
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Presentation - NWO CHAINS 2016December 06, 2016
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Presentation - Dutch MD DaysFebruary 22, 2017
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Presentation - AIMMS Annual MeetingApril 13, 2017
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Presentation - Automation in Biomolecular Simulations and ModellingSeptember 12, 2017
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Presentation - FIGON Dutch Medicines DaysOctober 02, 2017
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Presentation at 21st European Symposium on Quantitative Structure-Activity RelationshipSeptember 04, 2016
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Presentation - IXA Science and Innovation Award 2017June 21, 2017
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Presentation - National eScience Symposium 2017October 12, 2017
Projects with MDStudio
Contributors
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Felipe ZapataNetherlands eScience Center
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Marc van DijkVU University Amsterdam
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Paul VisscherZefiros Software
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Mick van DuijnZefiros Software
Contact person
