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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer Berlin Heidelberg
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4842225/ https://www.ncbi.nlm.nih.gov/pubmed/27107576 http://dx.doi.org/10.1007/s00894-016-2982-4 |