Molecular Dynamics and Structural Studies of Zinc Chloroquine Complexes

Author:

Paulikat Mirko1ORCID,Vitone Daniele2,Schackert Florian K.13ORCID,Schuth Nils4,Barbanente Alessandra2,Piccini GiovanniMaria5,Ippoliti Emiliano1ORCID,Rossetti Giulia167ORCID,Clark Adam H.8ORCID,Nachtegaal Maarten8ORCID,Haumann Michael9,Dau Holger9ORCID,Carloni Paolo13ORCID,Geremia Silvano10ORCID,De Zorzi Rita10,Quintanar Liliana4ORCID,Arnesano Fabio2ORCID

Affiliation:

1. Computational Biomedicine (IAS-5/INM-9), Forschungszentrum Jülich GmbH, 52428Jülich, Germany

2. Department of Chemistry, University of Bari “Aldo Moro”, 70125Bari, Italy

3. Department of Physics, RWTH Aachen University, 52062Aachen, Germany

4. Department of Chemistry, Center for Research and Advanced Studies (Cinvestav), 07360Mexico City, Mexico

5. Euler Institute, Università Della Svizzera Italiana, 6962Lugano, Switzerland

6. Jülich Supercomputing Centre (JSC), Forschungszentrum Jülich GmbH, 52428Jülich, Germany

7. Department of Neurology, RWTH Aachen University, 52062Aachen, Germany

8. Paul Scherrer Institute, 5232Villigen, Switzerland

9. Department of Physics, Freie Universität Berlin, 14195Berlin, Germany

10. Department of Chemical and Pharmaceutical Sciences, University of Trieste, 34127Trieste, Italy

Funder

Bundesministerium f?r Bildung und Forschung

Universita degli Studi di Bari Aldo Moro

Deutsche Forschungsgemeinschaft

Ministero dell'Universit? e della Ricerca

Government of Hidalgo, Mexico

Nordrhein-Westfalen

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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