BioinformaticsInternational Journal of Biological MacromoleculesPeer-reviewed
Employing Steered MD Simulations for Effective Virtual Screening: Active Pharmacophore Search by Dynamic Corrections to target MKK3-MYC Interactions
Muhammet Eren Ulug, Saima Ikram, Ehsan Sayyah, Serdar Durdağı
The paper uses steered MD simulations to screen small molecules targeting MKK3-MYC interactions, identifying compounds with promising binding affinities.