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GROmaρs: A GROMACS-Based Toolset to Analyze Density Maps Derived from Molecular Dynamics Simulations
We introduce a computational toolset, named GROmaρs, to obtain and compare time-averaged density maps from molecular dynamics simulations. GROmaρs efficiently computes density maps by fast multi-Gaussian spreading of atomic densities onto a three-dimensional grid. It complements existing map-based t...
Αποθηκεύτηκε σε:
| Τόπος έκδοσης: | Biophys J |
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| Κύριοι συγγραφείς: | , , , , |
| Μορφή: | Artigo |
| Γλώσσα: | Inglês |
| Έκδοση: |
The Biophysical Society
2019
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| Θέματα: | |
| Διαθέσιμο Online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6342704/ https://ncbi.nlm.nih.gov/pubmed/30558883 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2018.11.3126 |
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