Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies. - Abdullahi Ibrahim Uba; Kemal Yelekçi (Comput. Biol. Chem., 2018)

Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6. - Abdullahi Ibrahim Uba; Kemal Yelekçi (Comput. Biol. Chem., 2018)

Identification of potential inhibitors of human methionine aminopeptidase (type II) for cancer therapy: Structure-based virtual screening, ADMET prediction and molecular dynamics studies. - Jackson Weako; Abdullahi Ibrahim Uba; Ozlem Keskin; Attila Gürsoy; Kemal Yelekçi (Comput. Biol. Chem., 2020)

Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening. - Abdullahi Ibrahim Uba; Harika Aluwala; Haiguang Liu; Chun Wu (Comput. Biol. Chem., 2022)

Identification of potential antagonists of CRF1R for possible treatment of stress and anxiety neuro-disorders using structure-based virtual screening and molecular dynamics simulation. - Abdullahi Ibrahim Uba; Chun Wu (Comput. Biol. Chem., 2022)

Computational analysis of natural compounds as potential phosphodiesterase type 5A inhibitors. - Abdullahi Ibrahim Uba; Nicholas Joseph Paradis; Chun Wu; Gokhan Zengin (Comput. Biol. Chem., 2024)