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

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Authors: Federica Moraca, Jussara Amato, Francesco Ortuso, Anna Artese, Bruno Pagano, Ettore Novellino, Stefano Alcaro, Michele Parrinello, Vittorio Limongelli

Journal title: Proceedings of the National Academy of Sciences

Journal number: 114/11

Journal publisher: National Academy of Sciences

Published year: 2017

Published pages: E2136-E2145

DOI identifier: 10.1073/pnas.1612627114

ISSN: 0027-8424