https://github.com/prody/comd
This package runs collective molecular dynamics simulations, where collective motions from anisotropic network model normal mode analysis drive all-atom dynamics through targeted molecular dynamics simulations and energy minimization
https://github.com/prody/comd
anm comd pathway-analysis sampling-methods simulations
Last synced: 23 days ago
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This package runs collective molecular dynamics simulations, where collective motions from anisotropic network model normal mode analysis drive all-atom dynamics through targeted molecular dynamics simulations and energy minimization
- Host: GitHub
- URL: https://github.com/prody/comd
- Owner: prody
- License: mit
- Created: 2015-07-09T14:31:40.000Z (almost 11 years ago)
- Default Branch: master
- Last Pushed: 2020-08-10T16:08:34.000Z (over 5 years ago)
- Last Synced: 2026-01-03T04:13:11.205Z (4 months ago)
- Topics: anm, comd, pathway-analysis, sampling-methods, simulations
- Language: Rich Text Format
- Homepage: http://prody.csb.pitt.edu/comd/
- Size: 415 KB
- Stars: 1
- Watchers: 4
- Forks: 6
- Open Issues: 9
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
coMD
======
coMD is a VMD plugin GUI and a Python module developed for setup and
analysis of simulations described in Gur et al., 2013.
Homepage
--------
http://prody.csb.pitt.edu/comd/
Citation
--------
Gur, M., Madura, J. D., & Bahar, I. (2013). Global transitions of proteins
explored by a multiscale hybrid methodology: application to adenylate
kinase. Biophysical journal, 105(7), 1643-1652.
Paper: http://www.sciencedirect.com/science/article/pii/S000634951300934X