Python utility that bulk-submits receptor/ligand pairs to the HDOCK server, tracks job tokens
A fully automated pipeline for parsing, scoring, and visualizing HDOCK protein–peptide docking results
Master's Thesis computational pipeline: Targeting pathogenic phospho-Tau (pTau) epitopes with de novo RNA aptamers. Features transcriptomic meta-analysis, hierarchical docking, and explicit-solvent MD/MMPBSA validation.
Scrapes HDOCK job result pages, extracts the “Summary of the Top 10 Models” tables for any number of complexes, and builds a single-sheet Excel workbook with embedded download links to each job’s full results archive.
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