Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches. - Shailima Rampogu; Minky Son; Ayoung Baek; Chanin Park; Rabia Mukthar Rana; Amir Zeb; Saravanan Parameswaran; Keun Woo Lee (Comput. Biol. Chem., 2018)

Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach. - Amir Zeb; Chanin Park; Minky Son; Shailima Rampogu; Syed Ibrar Alam; Seok Ju Park; Keun Woo Lee (J. Bioinform. Comput. Biol., 2018)

Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer. - Shailima Rampogu; Ayoung Baek; Rohit Bavi; Minky Son; Guang Ping Cao; Raj Kumar; Chanin Park; Amir Zeb; Rabia Mukthar Rana; Seok Ju Park; Keun Woo Lee (IEEE ACM Trans. Comput. Biol. Bioinform., 2019)

Correction to "Identification of Novel Scaffolds with Dual Role as Antiepileptic and Anti-Breast Cancer". - Shailima Rampogu; Seok Ju Park; Keun Woo Lee; Ayoung Baek; Rohit Bavi; Minky Son; Guang Ping Cao; Raj Kumar; Chanin Park; Amir Zeb; Rabia Mukthar Rana (IEEE ACM Trans. Comput. Biol. Bioinform., 2020)

De novo molecular design with deep molecular generative models for PPI inhibitors. - Jianmin Wang 016; Yanyi Chu; Jiashun Mao; Hyeon-Nae Jeon; Haiyan Jin; Amir Zeb; Yuil Jang; Kwang-Hwi Cho; Tao Song 001; Kyoung Tai No (Briefings Bioinform., 2022)

Transformer-Based Molecular Generative Model for Antiviral Drug Design. - Jiashun Mao; Jianmin Wang 016; Amir Zeb; Kwang-Hwi Cho; Haiyan Jin; Jongwan Kim; Onju Lee; Yunyun Wang; Kyoung Tai No (J. Chem. Inf. Model., 2024)