Development of the TSR-based computational method to investigate spike and monoclonal antibody interactions.

ABSTRACT:

Introduction

Monoclonal antibody (mAb) drug treatments have proven effective in reducing COVID-19-related hospitalizations or fatalities, particularly among high-risk patients. Numerous experimental studies have explored the structures of spike proteins and their complexes with ACE2 or mAbs. These 3D structures provide crucial insights into the interactions between spike proteins and ACE2 or mAb, forming a basis for the development of diagnostic tools and therapeutics. However, the field of computational biology has faced substantial challenges due to the lack of methods for precise protein structural comparisons and accurate prediction of molecular interactions. In our previous studies, we introduced the Triangular Spatial Relationship (TSR)-based algorithm, which represents a pro

SUBMITTER: Milon TI 

PROVIDER: S-EPMC11962798 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature