Molecular Dynamics Simulations Identify Time Scale of Conformational Changes Responsible for Conformational Selection in Molecular Recognition of HIV-1 Transactivation Responsive RNA

Author:

Musiani Francesco123,Rossetti Giulia34,Capece Luciana5,Gerger Thomas Martin3,Micheletti Cristian1,Varani Gabriele6,Carloni Paolo3

Affiliation:

1. Scuola Internazionale Superiore di Studi Avanzati (SISSA/ISAS), via Bonomea 265, 34136 Trieste, Italy

2. Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology, University of Bologna, 40127 Bologna, Italy

3. Institute of Neuroscience and Medicine INM-9 and Computational Biomedicine, Institute for Advanced Simulation IAS-5 and Computational Biophysics, German Research School for Simulation Sciences, Forschungszentrum Jülich, 52425 Jülich, Germany

4. Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich, Germany

5. International Centre for Genetic Engineering and Biotechnology, AREA Science Park, Padriciano 99, 34149 Trieste, Italy

6. Department of Chemistry and Department of Biochemistry, University of Washington, Seattle, Washington 98195, United States

Funder

National Science Foundation

Istituto Superiore di Sanità

Ministero dell'Istruzione, dell'Università e della Ricerca

Consorzio Interuniversitario Risonanze Magnetiche di Metallo Proteine

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

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