An Integrated QSAR-MD-DCCM Pipeline: A Predictive Computational Platform for the Rational Design and Dynamic Functional Validation of Dual-Target Directed Ligands. - Nilewar, Shrikant S.; Chobe, Santosh; Dudhe, Prashik; Kumar, Perli Kranti; Lodha, Sandesh; Raut, Akansha D.; Fernández-Conde, Dennys; Farhan, Mohd; Muteeb, Ghazala; Pawar, Tushar Janardan (Pharmaceuticals (14248247), 2026)