Molecular docking, MD simulation, DFT and ADME-toxicity study on analogs of zerumbone against IKK-β enzyme as anti-cancer agents. - Salam Pradeep Singh; Ningthoujam Indrajit Singh; Khumukcham Nongalleima; Pradip Doley; Chingakham Brajakishor Singh; Dinabandhu Sahoo (Netw. Model. Anal. Health Informatics Bioinform., 2018)