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Dissociation of minor groove binders from DNA: insights from metadynamics simulations
We have used metadynamics to investigate the mechanism of noncovalent dissociation from DNA by two representatives of alkylating and noncovalent minor groove (MG) binders. The compounds are anthramycin in its anhydrous form (IMI) and distamycin A (DST), which differ in mode of binding, size, flexibi...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Oxford University Press
2008
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2566863/ https://ncbi.nlm.nih.gov/pubmed/18801848 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/nar/gkn561 |
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