Potent Human Telomerase Inhibitors: Molecular Dynamic Simulations, Multiple Pharmacophore-Based Virtual Screening, and Biochemical Assays. - Faezeh Shirgahi Talari; Kowsar Bagherzadeh; Sahand Golestanian; Michael Jarstfer; Massoud Amanlou (J. Chem. Inf. Model., 2015)

Tetracyclines as a potential antiviral therapy against Crimean Congo hemorrhagic fever virus: Docking and molecular dynamic studies. - Amirhossein Sharifi; Arash Amanlou; Faezeh Moosavi-Movahedi; Sahand Golestanian; Massoud Amanlou (Comput. Biol. Chem., 2017)

DrugR+: A comprehensive relational database for drug repurposing, combination therapy, and replacement therapy. - Yosef Masoudi-Sobhanzadeh; Yadollah Omidi; Massoud Amanlou; Ali Masoudi-Nejad (Comput. Biol. Medicine, 2019)

Deep Transferable Compound Representation across Domains and Tasks for Low Data Drug Discovery. - Karim Abbasi; Antti Poso; Jahan B. Ghasemi; Massoud Amanlou; Ali Masoudi-Nejad (J. Chem. Inf. Model., 2019)

DeepCDA: deep cross-domain compound-protein affinity prediction through LSTM and convolutional neural networks. - Karim Abbasi; Parvin Razzaghi; Antti Poso; Massoud Amanlou; Jahan B. Ghasemi; Ali Masoudi-Nejad (Bioinform., 2020)

Identification of natural inhibitors against CDK6 target using pharmacophore-based screening, molecular docking, molecular dynamic simulations, and quantitative electrostatic potential analysis maps: A comprehensive study. - Elaheh Hosseinzadeh; Loghman Firoozpour; Massoud Amanlou (Comput. Biol. Chem., 2025)