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Sliding of Alkylating Anticancer Drugs along the Minor Groove of DNA: New Insights on Sequence Selectivity

Currently, little is known about the molecular recognition pathways between DNA-alkylating anticancer drugs and their targets despite their pharmacological relevance. In the framework of classical molecular dynamics simulations, here we use umbrella sampling to map the potential of mean force (PMF)...

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Bibliografische gegevens
Hoofdauteurs: Vargiu, Attilio V., Ruggerone, Paolo, Magistrato, Alessandra, Carloni, Paolo
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: The Biophysical Society 2008
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2157243/
https://ncbi.nlm.nih.gov/pubmed/18160662
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.113308
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