Development of the TSR-based computational method to investigate spike and monoclonal antibody interactions
This study presents an advanced computational approach that not only quantifies and interprets conformational changes in protein backbones, entire structures, or individual amino acids, but also facilitates the search for substructures induced by molecular binding across protein datasets. In some instances, a direct correlation between structures and functions was successfully established.
Authors
- Konstantin G. Kousoulas (ORCID: https://orcid.org/0000-0001-7077-9003)
- Jun‐Yuan Ji (ORCID: https://orcid.org/0000-0002-4483-4336)
- Titli Sarkar
- Vijay V. Raghavan (ORCID: https://orcid.org/0000-0001-7224-7828)
- Seetharama D. Jois (ORCID: https://orcid.org/0000-0002-6936-772X)
- Wu Xu (ORCID: https://orcid.org/0000-0002-2982-3276)
- Tarikul I. Milon
- Feng Chen (ORCID: https://orcid.org/0000-0002-8354-9319)
- Yixin Chen (ORCID: https://orcid.org/0000-0002-3704-4432)
- Jordan M. Grider
Institutions
- Tulane University (US)
- Louisiana State University (US)
- University of Mississippi (US)
- Louisiana Cancer Research Center (US)
- University of Louisiana at Lafayette (US)
Publication Details
- Journal
- Frontiers in Chemistry
- Published
- 2025-03-19
- DOI
- https://doi.org/10.3389/fchem.2025.1395374
- Citations
- 4
- Primary Topic
- Protein Structure and Dynamics
- Type
- article
- Field-Weighted Citation Impact
- 3.22
Funders
- National Institute of General Medical Sciences