MDStudio: Molecular Dynamics workflows made easy
Molecular Dynamics (MD) simulations can directly aid to drug design and development, bioengineering, understanding drug resistance, or other (bio)molecular‐oriented R&D.
To fill the current gap that prevents wide‐spread application of MD‐based methods in applied settings we have launched the MDStudio software initiative with three main ideas in mind:
- developing a software platform to let the user focus on science, not IT
- integration of MD‐based workflows
- involving the community.
With MDStudio we will directly contribute to the straightforward application of MD‐based methods in drug design and research. Furthermore, we envision that our platform will function as a catalyst for the further development and use of state‐of‐the‐art MD methods in academia and industry.
MDStudio development is coordinated by Daan Geerke (PI) and Marc van Dijk (senior scientist).
Daan Geerke, Researcher, Vrije Universiteit Amsterdam
Marc van Dijk, Researcher, Vrije Universiteit Amsterdam