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Parameterization of aromatic azido group: Application for Photoaffinity Probe in Molecular Dynamics Studies
The accuracy of molecular dynamics (MD) simulations is limited by the availability of parameters for the molecular system of interest. In most force fields parameters of common chemical groups are already present. With the development of novel small organic molecules as probes to study biological sy...
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2009
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2745498/ https://ncbi.nlm.nih.gov/pubmed/19288146 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-009-0488-z |
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