Dr. Ariane Ferreira Nunes Alves

Profile

Academic positionLecturer, Assistant Professor, Researcher
Research fieldsTheoretical Biological Chemistry,Biochemistry
Keywordsligand-protein binding kinetics, molecular dynamics simulations, p38 MAP kinase, comparative binding energy analysis (COMBINE)

Current contact address

CountryGermany
CityBerlin
InstitutionTechnische Universität Berlin
InstituteInstitut für Chemie

Host during sponsorship

Prof. Dr. Rebecca WadeHeidelberger Institut für Theoretische Studien (HITS), Heidelberg
Start of initial sponsorship01/07/2019

Programme(s)

2018CAPES-Humboldt Research Fellowship Programme for Postdocs

Publications (partial selection)

2021Ganotra, Gaurav K and Nunes-Alves, Ariane and Wade, Rebecca C: A Protocol to Use Comparative Binding Energy Analysis to Estimate Drug-Target Residence Time. In: Methods in molecular biology (Clifton, N.J.), 2266, 2021, 171—186
2021Ariane Nunes-Alves and Daria B. Kokh and Rebecca C. Wade: Ligand unbinding mechanisms and kinetics for T4 lysozyme mutants from τRAMD simulations. In: Current Research in Structural Biology, 3, 2021, 106-111
2021Debabrata Dey and Shir Marciano and Ariane Nunes-Alves and Vladimir Kiss and Rebecca C. Wade and Gideon Schreiber: Line-FRAP, A Versatile Method to Measure Diffusion Rates In Vitro and In Vivo. In: Journal of Molecular Biology, 433, 2021, 166898
2021Salo-Ahen, Outi M. H. and Alanko, Ida and Bhadane, Rajendra and Bonvin, Alexandre M. J. J. and Honorato, Rodrigo Vargas and Hossain, Shakhawath and Juffer, André H. and Kabedev, Aleksei and Lahtela-Kakkonen, Maija and Larsen, Anders Støttrup and Lescrinier, Eveline and Marimuthu, Parthiban and Mirza, Muhammad Usman and Mustafa, Ghulam and Nunes-Alves, Ariane and Pantsar, Tatu and Saadabadi, Atefeh and Singaravelu, Kalaimathy and Vanmeert, Michiel: Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development. In: Processes, 9, 2021,
2021Benedict-Tilman Berger and Marta Amaral and Daria B. Kokh and Ariane Nunes-Alves and Djordje Musil and Timo Heinrich and Martin Schröder and Rebecca Neil and Jing Wang and Iva Navratilova and Joerg Bomke and Jonathan M. Elkins and Susanne Müller and Matthias Frech and Rebecca C. Wade and Stefan Knapp: Structure-kinetic relationship reveals the mechanism of selectivity of FAK inhibitors over PYK2. In: Cell Chemical Biology, 2021,
2020Nunes-Alves, Ariane: From Brazil to Germany: Challenges and Advantages. In: Journal of Chemical Information and Modeling, 60, 2020, 449-451
2020Mazzolari, Angelica and Nunes-Alves, Ariane and Wahab, Habibah A. and Amaro, Rommie E. and Cournia, Zoe and Merz, Kenneth M.: Impact of the Journal of Chemical Information and Modeling Special Issue on Women in Computational Chemistry. In: Journal of Chemical Information and Modeling, 60, 2020, 3328-3330
2020Philip Weidner and Michaela Söhn and Torsten Schroeder and Laura Helm and Veronika Hauber and Tobias Gutting and Johannes Betge and Christoph Röcken and Florian N. Rohrbacher and Vijaya R. Pattabiraman and Jeffrey W. Bode and Rony Seger and Daniel Saar and Ariane Nunes-Alves and Rebecca C. Wade and Matthias P. A. Ebert and Elke Burgermeister: Myotubularin-related protein 7 activates peroxisome proliferator-activated receptor-gamma. In: Oncogenesis, 9, 2020, 59
2020Ariane Nunes-Alves and Daria B Kokh and Rebecca C Wade: Recent progress in molecular simulation methods for drug binding kinetics. In: Current Opinion in Structural Biology, 64, 2020, 126 - 133
2020Diestelkoetter-Bachert, Petra and Beck, Rainer and Reckmann, Inge and Hellwig, Andrea and Garcia-Saez, Ana and Zelman-Hopf, Monika and Hanke, Anton and Nunes Alves, Ariane and Wade, Rebecca C. and Mayer, Matthias P. and Wieland, Felix: Structural characterization of an Arf dimer interface: molecular mechanism of Arf-dependent membrane scission. In: FEBS Letters, 594, 2020, 2240-2253
2020Nunes-Alves, Ariane and Mazzolari, Angelica and Merz, Kenneth M.: What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical Information and Modeling. In: Journal of Chemical Information and Modeling, 60, 2020, 5866-5867