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Open Access
Peer-reviewed
Research Article
Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design
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Jared Adolf-Bryfogle ,
Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Software, Validation, Visualization, Writing – original draft, Writing – review & editing
* E-mail: jadolfbr@gmail.com (JAB); schief@scripps.edu (WRS)
Affiliations Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America, IAVI Neutralizing Antibody Center, The Scripps Research Institute, La Jolla, California, United States of America, Consortium for HIV/AIDS Vaccine Development, The Scripps Research Institute, La Jolla, California, United States of America, Institute for Protein Innovation, Boston, Massachusetts, United States of America, Division of Hematology-Oncology, Boston Children’s Hospital, Harvard Medical School, Boston, Massachusetts, United States of America
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Jason W. Labonte,
Roles Conceptualization, Investigation, Methodology, Software, Writing – original draft, Writing – review & editing
Affiliation Department of Chemistry & Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, United States of America
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John C. Kraft,
Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Project administration, Validation, Visualization, Writing – original draft, Writing – review & editing
Affiliations Department of Biochemistry, University of Washington, Seattle, Washington, United States of America, Institute for Protein Design, University of Washington, Seattle, Washington, United States of America
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Maxim Shapovalov,
Roles Data curation, Formal analysis, Software, Writing – original draft, Writing – review & editing
Affiliation Fox Chase Cancer Center, Philadelphia, Pennsylvania, United States of America
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Sebastian Raemisch,
Roles Conceptualization, Investigation, Methodology, Software
Affiliations Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America, IAVI Neutralizing Antibody Center, The Scripps Research Institute, La Jolla, California, United States of America, Consortium for HIV/AIDS Vaccine Development, The Scripps Research Institute, La Jolla, California, United States of America
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Thomas Lütteke,
Roles Data curation, Methodology, Software
Affiliation Institute of Veterinary Physiology and Biochemistry, Justus-Liebig-University Giessen, Giessen, Germany
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Frank DiMaio,
Roles Investigation, Project administration, Supervision, Writing – original draft, Writing – review & editing
Affiliations Department of Biochemistry, University of Washington, Seattle, Washington, United States of America, Institute for Protein Design, University of Washington, Seattle, Washington, United States of America
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Christopher D. Bahl,
Roles Project administration, Supervision, Writing – original draft, Writing – review & editing
Affiliations Institute for Protein Innovation, Boston, Massachusetts, United States of America, Division of Hematology-Oncology, Boston Children’s Hospital, Harvard Medical School, Boston, Massachusetts, United States of America
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Jesper Pallesen,
Roles Conceptualization, Validation
Affiliations Department of Molecular and Cellular Biochemistry, Indiana University, Bloomington, Indiana, United States of America, Vaccine and Immunotherapy Center, The Wistar Institute, Philadelphia, Pennsylvania, United States of America
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Neil P. King,
Roles Conceptualization, Funding acquisition, Project administration, Resources, Validation, Writing – original draft, Writing – review & editing
Affiliations Department of Biochemistry, University of Washington, Seattle, Washington, United States of America, Institute for Protein Design, University of Washington, Seattle, Washington, United States of America
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Jeffrey J. Gray,
Roles Funding acquisition, Project administration, Resources, Software, Writing – original draft, Writing – review & editing
Affiliation Department of Chemistry & Biomolecular Engineering, Johns Hopkins University, Baltimore, Maryland, United States of America
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Daniel W. Kulp,
Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing
Affiliation Vaccine and Immunotherapy Center, The Wistar Institute, Philadelphia, Pennsylvania, United States of America
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William R. Schief
Roles Conceptualization, Funding acquisition, Investigation, Methodology, Project administration, Resources, Supervision, Writing – original draft, Writing – review & editing
* E-mail: jadolfbr@gmail.com (JAB); schief@scripps.edu (WRS)
Affiliations Department of Immunology and Microbiology, The Scripps Research Institute, La Jolla, California, United States of America, IAVI Neutralizing Antibody Center, The Scripps Research Institute, La Jolla, California, United States of America, Consortium for HIV/AIDS Vaccine Development, The Scripps Research Institute, La Jolla, California, United States of America
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Growing Glycans in Rosetta: Accurate de novo glycan modeling, density fitting, and rational sequon design
- Jared Adolf-Bryfogle,
- Jason W. Labonte,
- John C. Kraft,
- Maxim Shapovalov,
- Sebastian Raemisch,
- Thomas Lütteke,
- Frank DiMaio,
- Christopher D. Bahl,
- Jesper Pallesen,
- Neil P. King
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- Published: June 24, 2024
- https://doi.org/10.1371/journal.pcbi.1011895