godmd
GOdMD Conformational Transitions with discrete Molecular Dynamics.
GOdMD Conformational Transitions with discrete Molecular Dynamics.
To install this package, run one of the following:
GOdMD is a new method for determining pathways for conformational transitions in macromolecules based on the use of discrete molecular dynamics and biasing techniques based on a combination of essential dynamics and Maxwell-Demon sampling techniques. The method can work with high efficiency at different levels of resolution, including the atomistic one, and can help to define initial pathways for further exploration by means of more accurate atomistic molecular dynamics simulations.
Summary
GOdMD Conformational Transitions with discrete Molecular Dynamics.
Last Updated
Oct 3, 2025 at 10:05
License
Apache Software License
Total Downloads
10.0K
Supported Platforms
GitHub Repository
https://github.com/mmb-irb/godmd