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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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Detalhes bibliográficos
Main Authors: Vargiu, Attilio V., Ruggerone, Paolo, Magistrato, Alessandra, Carloni, Paolo
Formato: Artigo
Idioma:Inglês
Publicado em: The Biophysical Society 2008
Assuntos:
Acesso em linha: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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