Pritam Kumar Panda

PandaDock is an open-source molecular docking platform that improves pose prediction and affinity scoring using a GNN and flexible-ligand search, achieving strong performance on benchmark datasets.

This paper benchmarks six molecular docking and co-folding engines across 14 protein families, finding that engine performance depends on structural and physical characteristics of the target.

PandaMap generates 2D/3D protein-ligand interaction diagrams, reports, and CSV files from PDB files, using validated distance thresholds and open-source tools.

This study analyzes the ORF8 protein of SARS-CoV-2 and its mutations across human, bat, and pangolin hosts to understand its role in immune evasion and evolutionary dynamics.