Fatma Cankara

The paper introduces DiPPI, a curated dataset of drug-like molecules in protein-protein interfaces, along with a website for drug repurposing studies, containing 55,135 interface-drug interactions.

This study compares four structural alignment algorithms for protein-protein interfaces in template-based docking, finding that TM-align performs well despite not being designed for sequence-order independent alignment.

The paper identifies FDA-approved drugs that may bind to structurally similar protein-protein interfaces in the Ras/Raf/MEK/ERK pathway, increasing structural coverage from 21% to 92% using PRISM.

ASCARIS provides a comprehensive representation of single amino acid variations by integrating positional and structural features, showing competitive performance in variant effect prediction.