Second simulation round

Our goal

After our first successful publication in Nature Methods, we are back to increase the data coverage of GPCRmd in a 2nd simulation round.

In this round, we will focus on simulating all remaining PDB IDs which correspond to GPCRs which are not in complex with G proteins, arrestins, or nanobodies. Note that GPCR-G protein/arrestin/nanobody complexes will be addressed in the 3rd simulation round starting in January 2021.

Collaborators

  • David Aranda-García, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Davide Abbondandolo, University of Bologna (Bologna, Italy)
  • Arnau Cordomi, Universitat Autònoma de Barcelona (Bellaterra, Spain)
  • Miguel Dieguez, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Matthaeus Drabek, Philipps-Univirsity of Marburg (Marburg, Germany)
  • Slawomir Filipek, University of Warsaw (Warsaw, Poland)
  • Toni Giorgino, National Research Council of Italy (Milan, Italy), University of Milan (Milan, Italy)
  • Ramon Guixà-González, Paul Scherrer Institute (Villigen PSI, Switzerland)
  • Hugo Gutiérrez-de-Terán, Uppsala University (Uppsala, Sweden)
  • Célien Jacquemard, University of Strasbourg (Strasbourg, France)
  • Willem Jespers, Uppsala University (Uppsala, Sweden)
  • Mireia Jiménez-Rosés, Sygnature Discovery (Notingham, UK)
  • Víctor Jun-Yu-Lim, Philipps-Univirsity of Marburg (Marburg, Germany)
  • Peter Kolb, Philipps-University Marburg (Marburg, Germany)
  • Dorota Latek, University of Warsaw (Warsaw, Poland)
  • Marta Lopez-Balastegui, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Tomasz Maciej Stepniewski, InterAx Biotech AG (Zurich, Switzerland)
  • Maria Marti-Solano, MRC Laboratory of Molecular Biology (Cambridge, UK), Philipps-University Marburg (Marburg, Germany)
  • Brian Medel-Lacruz, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Adrián Morales-Pastor, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Alessandro Nicoli, Leibniz-Institute for Food Systems Biology at the Technical University of Munich (Freising, Germany)
  • Alejandro Peralta-García, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Antonella Di Pizio, Leibniz-Institute for Food Systems Biology at the Technical University of Munich (Freising, Germany)
  • David Sotillo-Nuñez, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Johanna K. S. Tiemann, University of Copenhagen (Copenhagen, Denmark), Medical University Leipzig (Leipzig, Germany), Charite University Medicine Berlin (Berlin, Germany)
  • Irina Tikhonova, Queen's University Belfast (Belfast, UK)
  • Mariona Torrens-Fontanals, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)
  • Aida Shahraki, Philipps-Univirsity of Marburg (Marburg, Germany)
  • Jana Selent, Hospital del Mar Medical Research Institute—Pompeu Fabra University (Barcelona, Spain)