Ariane Nunes-Alves

10. January 2018

Google Scholar




Research Interests

  • Kinetics and thermodynamics of ligand-protein binding
  • Molecular modeling and simulation of protein conformational transitions


  • 2018 – present: postdoctoral researcher, Heidelberg Institute for Theoretical Studies, Germany


  • 2017 – PhD in Biochemistry, University of São Paulo, Brazil (dissertation)
  • 2013 – MSc in Biochemistry, University of São Paulo, Brazil (thesis)
  • 2010 – BSc in Biology, University of São Paulo, Brazil


  • Nunes-Alves, A.; Zuckerman, D.M.; Arantes, G.M. Escape of a small molecule from inside T4 lysozyme by multiple pathways. Biophys. J., 114: 1058-1066, 2018.
  • Nunes-Alves, A.; Arantes, G.M. Mechanical unfolding of macromolecules coupled to bond dissociation. J. Chem. Theory Comput., 14: 282-290, 2018.
  • Nunes-Alves, A.; Arantes, G.M. Ligand-receptor affinities computed by an adapted linear interaction model for continuum electrostatics and by protein conformational averaging. J. Chem. Inf. Model., 54: 2309-2319, 2014.
  • Nunes-Alves, A.; Nery, A.A.; Ulrich, H. Tobacco nitrosamine N-nitrosonornicotine as inhibitor of neuronal nicotinic acetylcholine receptors. J. Mol. Neurosci., 49: 52-61, 2013.
  • Yuahasi, K.K.; Gomes, K.N.; Campos, M.; Nery, A.A.; Nunes-Alves, A.; Trujillo, C.A.; Ulrich, H. Neurotransmitters as main players in the neural differentiation and fate determination game. In: Henning Ulrich. (Org.). Perspectives of stem cells – From tools for studying mechanisms of neuronal differentiation towards therapy. Dordrecht Heidelberg London Ne: Springer Science + Business Media, ISBN 978-90-481-3374-1, p. 115-134, 2010.

Awards and Fellowships (selected)

  • Capes-Humboldt Research Fellowship for postdoctoral research (2019-2021)
  • CellNetworks funding for postdoctoral research (2018-2019)
  • Travel award from the Biophysical Society (2014)
  • Travel award from the Institute of Chemistry, University of São Paulo (2013)
  • Best poster presentation in the area of Computational Biochemistry at the XLII Annual Meeting of the Brazilian Society for Biochemistry and Molecular Biology (2013)
  • Travel award from the Society for Research on Nicotine and Tobacco – Europe (2010)
  • Best poster presentation in the area of Ion Channels and Transporters at the XXIV Annual Meeting of the Federation of Societies for Experimental Biology (2009)

About HITS

HITS, the Heidelberg Institute for Theoretical Studies, was established in 2010 by physicist and SAP co-founder Klaus Tschira (1940-2015) and the Klaus Tschira Foundation as a private, non-profit research institute. HITS conducts basic research in the natural, mathematical, and computer sciences. Major research directions include complex simulations across scales, making sense of data, and enabling science via computational research. Application areas range from molecular biology to astrophysics. An essential characteristic of the Institute is interdisciplinarity, implemented in numerous cross-group and cross-disciplinary projects. The base funding of HITS is provided by the Klaus Tschira Foundation.

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