Molecular Dynamics Simulation Dataset: Bovine Pancreatic Trypsin Inhibitor (PDB: 6PTI)

This repository contains a 100 ns molecular dynamics trajectory of Bovine Pancreatic Trypsin Inhibitor (BPTI), a canonical model system for protein folding and dynamics studies. The dataset includes the protein-only trajectory extracted from a full solvated simulation, providing a standardized benchmark for methodological development in structural bioinformatics. Intended UseThis curated protein trajectory is optimized for: Method development in trajectory analysis and visualization Benchmarking conformational sampling algorithms Educational purposes in computational biophysics Validation of analysis pipelines