DynamicGT: a dynamic-aware geometric transformer model to predict protein binding interfaces in flexible and disordered regions

This dataset contains conformational Representatives of protein structures derived from two sources: Molecular Dynamics (MD) Simulations (three replicates of 500 microseconds for each entry) – Representative structures were selected based on RMSD clustering, with dynamically chosen cutoffs to retain between 20 to 50 representatives per trajectory. AlphaFlow-Generated Conformations – A distilled version of AlphaFlow was used to generate 25 conformations per protein.