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Improvements in GROMACS plugin for PyMOL including implicit solvent simulations and displaying results of PCA analysis
In order to get the dynamic molecule model from the static one, the molecular dynamics (MD) simulation needs to be performed. Some software sets such as GROMACS are used for that purpose. Unfortunately they lack GUI. The Dynamics PyMOL plugin allows researcher to perform MD simulations directly from...
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| Udgivet i: | J Mol Model |
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| Main Authors: | , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer Berlin Heidelberg
2016
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4842225/ https://ncbi.nlm.nih.gov/pubmed/27107576 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-016-2982-4 |
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