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Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries.

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Title: Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries.
Authors: Tsai YX; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., Chang NE; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., Reuter K; Max Planck Computing and Data Facility, 85748 Garching, Germany., Chang HT; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., Yang TJ; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., von Bülow S; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany., Sehrawat V; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Malopolska Centre of Biotechnology, Jagiellonian University, 31-007 Kraków, Poland., Zerrouki N; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France., Tuffery M; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France., Gecht M; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany., Grothaus IL; Hybrid Materials Interfaces Group, Faculty of Production Engineering, Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany., Colombi Ciacchi L; Hybrid Materials Interfaces Group, Faculty of Production Engineering, Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany., Wang YS; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., Hsu MF; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan., Khoo KH; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan., Hummer G; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Institute of Biophysics, Goethe University, 60438 Frankfurt, Germany., Hsu SD; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan; International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM(2)), Hiroshima University, Hiroshima 739-8526, Japan. Electronic address: sthsu@gate.sinica.edu.tw., Hanus C; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France; GHU Psychiatrie et Neurosciences de Paris, 75014 Paris, France. Electronic address: cyril.hanus@inserm.fr., Sikora M; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Malopolska Centre of Biotechnology, Jagiellonian University, 31-007 Kraków, Poland. Electronic address: mateusz.sikora@uj.edu.pl.
Source: Cell [Cell] 2024 Feb 29; Vol. 187 (5), pp. 1296-1311.e26.
Publication Type: Journal Article
Journal Info: Publisher: Cell Press Country of Publication: United States NLM ID: 0413066 Publication Model: Print Cited Medium: Internet ISSN: 1097-4172 (Electronic) Linking ISSN: 00928674 NLM ISO Abbreviation: Cell Subsets: MEDLINE
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  Data: Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries.
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  Data: <searchLink fieldCode="AU" term="%22Tsai+YX%22">Tsai YX</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22Chang+NE%22">Chang NE</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22Reuter+K%22">Reuter K</searchLink>; Max Planck Computing and Data Facility, 85748 Garching, Germany.<br /><searchLink fieldCode="AU" term="%22Chang+HT%22">Chang HT</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22Yang+TJ%22">Yang TJ</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22von+Bülow+S%22">von Bülow S</searchLink>; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany.<br /><searchLink fieldCode="AU" term="%22Sehrawat+V%22">Sehrawat V</searchLink>; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Malopolska Centre of Biotechnology, Jagiellonian University, 31-007 Kraków, Poland.<br /><searchLink fieldCode="AU" term="%22Zerrouki+N%22">Zerrouki N</searchLink>; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France.<br /><searchLink fieldCode="AU" term="%22Tuffery+M%22">Tuffery M</searchLink>; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France.<br /><searchLink fieldCode="AU" term="%22Gecht+M%22">Gecht M</searchLink>; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany.<br /><searchLink fieldCode="AU" term="%22Grothaus+IL%22">Grothaus IL</searchLink>; Hybrid Materials Interfaces Group, Faculty of Production Engineering, Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany.<br /><searchLink fieldCode="AU" term="%22Colombi+Ciacchi+L%22">Colombi Ciacchi L</searchLink>; Hybrid Materials Interfaces Group, Faculty of Production Engineering, Bremen Center for Computational Materials Science and MAPEX Center for Materials and Processes, University of Bremen, 28359 Bremen, Germany.<br /><searchLink fieldCode="AU" term="%22Wang+YS%22">Wang YS</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22Hsu+MF%22">Hsu MF</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan.<br /><searchLink fieldCode="AU" term="%22Khoo+KH%22">Khoo KH</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan.<br /><searchLink fieldCode="AU" term="%22Hummer+G%22">Hummer G</searchLink>; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Institute of Biophysics, Goethe University, 60438 Frankfurt, Germany.<br /><searchLink fieldCode="AU" term="%22Hsu+SD%22">Hsu SD</searchLink>; Institute of Biological Chemistry, Academia Sinica, Taipei 11529, Taiwan; Institute of Biochemical Sciences, National Taiwan University, Taipei 10617, Taiwan; International Institute for Sustainability with Knotted Chiral Meta Matter (WPI-SKCM(2)), Hiroshima University, Hiroshima 739-8526, Japan. Electronic address: sthsu@gate.sinica.edu.tw.<br /><searchLink fieldCode="AU" term="%22Hanus+C%22">Hanus C</searchLink>; Institute of Psychiatry and Neurosciences of Paris, Inserm UMR1266, Université Paris-Cité, 75014 Paris, France; GHU Psychiatrie et Neurosciences de Paris, 75014 Paris, France. Electronic address: cyril.hanus@inserm.fr.<br /><searchLink fieldCode="AU" term="%22Sikora+M%22">Sikora M</searchLink>; Department of Theoretical Biophysics, Max Planck Institute for Biophysics, 60438 Frankfurt, Germany; Malopolska Centre of Biotechnology, Jagiellonian University, 31-007 Kraków, Poland. Electronic address: mateusz.sikora@uj.edu.pl.
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        Value: 10.1016/j.cell.2024.01.034
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