Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods. - Hassan Aryapour; Maryam Dehdab; Farzin Sohraby; Afshar Bargahi (Comput. Biol. Chem., 2017)

A boosted unbiased molecular dynamics method for predicting ligands binding mechanisms: probing the binding pathway of dasatinib to Src-kinase. - Farzin Sohraby; Mostafa Javaheri Moghadam; Masoud Aliyar; Hassan Aryapour (Bioinform., 2020)

Reconstruction of the binding pathway of an anti-HIV drug, Indinavir, in complex with the HTLV-1 protease using unaggregated unbiased molecular dynamics simulation. - Farzin Sohraby; Hassan Aryapour (Comput. Biol. Chem., 2022)