Exploring a Model of a Chemokine Receptor/Ligand Complex in an Explicit Membrane Environment by Molecular Dynamics Simulation: The Human CCR1 Receptor. - Mohsen Shahlaei; Armin Madadkar-Sobhani; Afshin Fassihi; Lotfollah Saghaie (J. Chem. Inf. Model., 2011)

Application of an expert system based on Genetic Algorithm-Adaptive Neuro-Fuzzy Inference System (GA-ANFIS) in QSAR of cathepsin K inhibitors. - Mohsen Shahlaei; Armin Madadkar-Sobhani; Lotfollah Saghaie; Afshin Fassihi (Expert Syst. Appl., 2012)

Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: application of QSAR methods based on the MOLMAP approach. - Razieh Sabet; Afshin Fassihi; Bahram Hemmateenejad; Lotfollah Saghaie; Ramin Miri; Maryam Gholami (J. Comput. Aided Mol. Des., 2012)

Improving Activity Prediction of Adenosine A2B Receptor Antagonists by Nonlinear Models. - Fahimeh Ghasemi; Alireza Mehri Dehnavi; Jorge Peña-García; Helena den-Haan; Alfonso Pérez-Garrido; Afshin Fassihi; Horacio Pérez Sánchez (IWBBIO (2), 2015)

Applications of High Performance Computing in Bioinformatics, Computational Biology and Computational Chemistry. - Horacio Pérez Sánchez; Afshin Fassihi; José M. Cecilia; Hesham H. Ali; Mario Cannataro (IWBBIO (2), 2015)

Acceleration of MPI mechanisms for sustainable HPC applications. - Jesús Carretero 001; Javier García-Blas; David E. Singh; Florin Isaila; Alexey L. Lastovetsky; Thomas Fahringer; Radu Prodan; Peter Zangerl; Christi Symeonidou; Afshin Fassihi; Horacio Pérez Sánchez (Supercomput. Front. Innov., 2015)

The role of different sampling methods in improving biological activity prediction using deep belief network. - Fahimeh Ghasemi; Afshin Fassihi; Horacio Pérez Sánchez; Alireza Mehri Dehnavi (J. Comput. Chem., 2017)

Deep neural network in QSAR studies using deep belief network. - Fahimeh Ghasemi; Alireza Mehridehnavi; Afshin Fassihi; Horacio Emilio Pérez Sánchez (Appl. Soft Comput., 2018)

Gp41 inhibitory activity prediction of theaflavin derivatives using ligand/structure-based virtual screening approaches. - Tahereh Mostashari-Rad; Lotfollah Saghaie; Afshin Fassihi (Comput. Biol. Chem., 2019)

Protein kinase inhibitors' classification using K-Nearest neighbor algorithm. - Roya Arian; Amirali Hariri; Alireza Mehridehnavi; Afshin Fassihi; Fahimeh Ghasemi (Comput. Biol. Chem., 2020)

3D U-Net: A voxel-based method in binding site prediction of protein structure. - Fatemeh Nazem; Fahimeh Ghasemi; Afshin Fassihi; Alireza Mehri Dehnavi (J. Bioinform. Comput. Biol., 2021)

Accelerating Big Data Analysis through LASSO-Random Forest Algorithm in QSAR Studies. - Fahimeh Motamedi; Horacio Pérez Sánchez; Alireza Mehridehnavi; Afshin Fassihi; Fahimeh Ghasemi (Bioinform., 2022)

Deep attention network for identifying ligand-protein binding sites. - Fatemeh Nazem; Reza Rasti; Afshin Fassihi; Alireza Mehri Dehnavi; Fahimeh Ghasemi (J. Comput. Sci., 2024)

M01 tool: an automated, comprehensive computational tool for generating small molecule-peptide hybrids and docking them into curated protein structures. - Mahsa Sheikholeslami; Mohammad Hasan Nazari; Afshin Fassihi (BMC Bioinform., 2025)