BioinformaticsbioRxivPreprint
DRGSCROLL: Achieving Full Side-Chain Flexibility in Docking Simulations through Genetic Algorithm Framework
Ehsan Sayyah, Muhammet Eren Ulug, Hüseyin Tunç, Serdar Durdağı
DRGSCROLL improves docking simulations by optimizing ligand pose and receptor side-chain flexibility using a genetic algorithm, showing better performance in energy and docking scores compared to existing methods.