Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations

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Author
Moraca, Federica
Amato, Jussara
Ortuso, Francesco
Artese, Anna
Pagano, Bruno
Novellino, Ettore
Alcaro, Stefano
Parrinello, Michele
Limongelli, Vittorio
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Date
2017-03
Type
    Journal Article
Publication status
published
External links
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Journal / series
Proceedings of the National Academy of Sciences of the United States of America
Volume
114(11)
Pages / Article No.
E2136 - E2145
Publisher
National Academy of Sciences
Subject
DNA G-quadruplex; Free-energy calculations; Funnel-metadynamics; Ligand binding free energy; Ligand docking
Organisational unit
03575 - Parrinello, Michele / Parrinello, Michele  
Notes
Published online 23 February 2017.
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Citations
Cited 37 times in Web of Science
Cited 39 times in Scopus
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yes
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