Co-crystal Guided AutoDock Vina Docking Pipeline

Review structural setup using coordinates and assembly evidence.

Retained the distant chain when the supplied biological assembly required it, removed it only with supporting assembly evidence, and preserved uncertainty when that evidence was missing. Correctly measured centroid, span and one recovered versus one missed contact. Synthetic setup checks only; no molecular docking or binding validation.

Review structural setup using coordinates and assembly evidence.

Retained the distant chain when the supplied biological assembly required it, removed it only with supporting assembly evidence, and preserved uncertainty when that evidence was missing. Correctly measured centroid, span and one recovered versus one missed contact. Synthetic setup checks only; no molecular docking or binding validation.