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Ligand binding to telomeric G-quadruplex DNA investigated by funnel-metadynamics simulations.
Moraca, Federica; Amato, Jussara; Ortuso, Francesco; Artese, Anna; Pagano, Bruno; Novellino, Ettore; Alcaro, Stefano; Parrinello, Michele; Limongelli, Vittorio.
  • Moraca F; Dipartimento di Scienze della Salute, University of Catanzaro "Magna Græcia," I-88100 Catanzaro, Italy.
  • Amato J; Department of Pharmacy, University of Naples "Federico II," I-80131 Naples, Italy.
  • Ortuso F; Dipartimento di Scienze della Salute, University of Catanzaro "Magna Græcia," I-88100 Catanzaro, Italy.
  • Artese A; Dipartimento di Scienze della Salute, University of Catanzaro "Magna Græcia," I-88100 Catanzaro, Italy.
  • Pagano B; Department of Pharmacy, University of Naples "Federico II," I-80131 Naples, Italy.
  • Novellino E; Department of Pharmacy, University of Naples "Federico II," I-80131 Naples, Italy.
  • Alcaro S; Dipartimento di Scienze della Salute, University of Catanzaro "Magna Græcia," I-88100 Catanzaro, Italy.
  • Parrinello M; Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule Zürich, CH-8093 Zurich, Switzerland.
  • Limongelli V; Università della Svizzera Italiana (USI), Faculty of Informatics, Institute of Computational Science, CH-6900 Lugano, Switzerland.
Proc Natl Acad Sci U S A ; 114(11): E2136-E2145, 2017 03 14.
Article en En | MEDLINE | ID: mdl-28232513
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: ADN / Telómero / G-Cuádruplex / Simulación de Dinámica Molecular / Ligandos Idioma: En Año: 2017 Tipo del documento: Article
Texto completo
Imprimir
XML
PubMed Links
Search on Google

Texto completo: 1 Banco de datos: MEDLINE Asunto principal: ADN / Telómero / G-Cuádruplex / Simulación de Dinámica Molecular / Ligandos Idioma: En Año: 2017 Tipo del documento: Article