3D-QSAR studies of some reversible Acetyl cholinesterase inhibitors based on CoMFA and ligand protein interaction fingerprints using PC-LS-SVM and PLS-LS-SVM. - Hamidreza Ghafouri; Mohsen Ranjbar; Amirhossein Sakhteman (Comput. Biol. Chem., 2017)

Disulfide bridge formation to increase thermostability of DFPase enzyme: A computational study. - Mozafar Mohammadi; Amirhossein Sakhteman; Sajjad Ahrari; Kazem Hassanpour; Sayed Ebrahim Hashemi; Gholamreza Farnoosh (Comput. Biol. Chem., 2018)

De novo design of novel protease inhibitor candidates in the treatment of SARS-CoV-2 using deep learning, docking, and molecular dynamic simulations. - Amir Hossein Arshia; Shayan Shadravan; Aida Solhjoo; Amirhossein Sakhteman; Ashkan Sami (Comput. Biol. Medicine, 2021)

Potential inhibitors of the main protease of SARS-CoV-2 and modulators of arachidonic acid pathway: Non-steroidal anti-inflammatory drugs against COVID-19. - Mohsen Sisakht; Aida Solhjoo; Amir Mahmoodzadeh; Mohammad Fathalipour; Maryam Kabiri; Amirhossein Sakhteman (Comput. Biol. Medicine, 2021)

EDTox: an R Shiny application to predict the endocrine disruption potential of compounds. - Amirhossein Sakhteman; Arindam Ghosh; Vittorio Fortino (Bioinform., 2022)