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Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

  • Jon Kapla,

    Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Supervision, Visualization, Writing – original draft, Writing – review & editing

    Affiliation Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden

  • Ismael Rodríguez-Espigares,

    Roles Data curation, Investigation, Methodology, Writing – review & editing

    Affiliation Research Programme on Biomedical Informatics (GRIB), Department of Experimental and Health Sciences of Pompeu Fabra University (UPF), Hospital del Mar Medical Research Institute (IMIM), Barcelona, Spain

  • Flavio Ballante,

    Roles Data curation, Investigation, Methodology, Writing – review & editing

    Affiliation Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden

  • Jana Selent,

    Roles Data curation, Funding acquisition, Investigation, Methodology, Supervision, Writing – review & editing

    Affiliation Research Programme on Biomedical Informatics (GRIB), Department of Experimental and Health Sciences of Pompeu Fabra University (UPF), Hospital del Mar Medical Research Institute (IMIM), Barcelona, Spain

  • Jens Carlsson

    Roles Conceptualization, Data curation, Formal analysis, Funding acquisition, Investigation, Methodology, Project administration, Supervision, Writing – original draft, Writing – review & editing

    jens.carlsson@icm.uu.se

    Affiliation Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Uppsala, Sweden

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6,093
May 13, 2021 (publication date)
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