Force-tuned Avidity of Spike Variant-ACE2 Interactions viewed on the Single-Molecule Level - MD simulations Dataset
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https://zenodo.org/record/7401938
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资源简介：
Models of SARS-CoV-2 virus spike protein bound to 1-3 of ACE2 receptors embedded in lipid nanodisks. Systems include all files in GROMACS format needed to reproduce simulations performed in the "Force-tuned Avidity of Spike Variant-ACE2 Interactions viewed on the Single-Molecule Level" article. Details system box size (x-y-z) [nm] Number of atoms Spike +<br> 1x ACE2, full length 33.44834 28.96711 57.95573 5,665,217 Spike +<br> 1x ACE2, truncated 28.05757 24.29856 46.74417 3,203,907 Spike +<br> 2x ACE2, truncated 28.30864 21.23141 48.40873 2,936,398 Spike +<br> 3x ACE2, truncated 28.32733 21.24544 48.30436 2,936,588
提供机构：
Institute of Biochemistry, Biocenter, Goethe University Frankfurt; Frankfurt, Germany.; Department of Experimental Applied Biophysics, Johannes Kepler University Linz; Linz, Austria.; Department of Applied Genetics and Cell Biology, Institute of Plant Biotechnology and Cell Biology, University of Natural Resources and Life Sciences, Vienna; Vienna, Austria.; Department of Biotechnology, Institute of Molecular Biotechnology, University of Natural Resources and Life Sciences, Vienna; Vienna, Austria.; Institute of Molecular Biotechnology of the Austrian Academy of Sciences; Vienna, Austria.; Apeiron Biologics; Vienna, Austria.; Department of Laboratory Medicine, Unit of Clinical Microbiology, Karolinska Institute and Karolinska University Hospital; Stockholm, Sweden.; Department of Theoretical Biophysics, Max Planck Institute of Biophysics; Frankfurt am Main, Germany.
创建时间：
2022-12-05
