ITMO University

Siteomix: a PyMOL plugin for the detection, alignment, and similarity analysis of protein‒ligand binding sites

The analysis of structural similarity among protein active sites is fundamental to understanding functional relationships between proteins and plays a critical role in structure-based drug design. Detailed characterization of protein‒ligand binding site similarity requires not on...

Phantom-Free Geometric Refinement for Industrial CBCT Using Physical Constraints and a Normalized Low-Rank Projection Prior

Geometric misalignment degrades industrial cone-beam computed tomography (CBCT), particularly when a dedicated calibration phantom cannot be deployed during object acquisition. This study presents a three-stage, scan-specific geometric refinement framework that searches a bounded...