Vina - 3d

Aris stood in front of a grant review panel. "We found this molecule in silico," he said. "AutoDock Vina predicted the binding pose with 0.8 angstrom RMSD from our crystal structure."

At iteration 27, the molecule slipped into the hydrophobic pocket like a key turned in a lock long rusted shut. Hydrogen bonds snapped into place. A pi-stack with a phenylalanine residue. A perfect van der Waals embrace. 3d vina

Aris nodded. "We need a molecule small enough to crawl inside that pocket and stubborn enough to stay." Aris stood in front of a grant review panel