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Scientific Reports|May 23, 2024
Comparing ANI-2x, ANI-1ccx neural networks, force field, and DFT methods for predicting conformational potential energy of organic moleculesMozafar Rezaee, Saeid Ekrami, Seyed Majid HashemianzadehThe Journal of Chemical Physics|December 10, 2017
Equation of state and Helmholtz free energy for the atomic system of the repulsive Lennard-Jones particlesAli Mirzaeinia, Farzaneh Feyzi, Seyed Majid HashemianzadehScientific Reports|July 24, 2025
Machine learning analysis of molecular dynamics properties influencing drug solubilityZeinab Sodaei, Saeid Ekrami, Seyed Majid HashemianzadehJournal of Molecular Modeling|July 2, 2010
Solvation free energies of glutamate and its metal complexes: a computer simulation studySepideh Ketabi, Haleh Hashemi Haeri, Seyed Majid HashemianzadehThe Journal of Physical Chemistry. B|August 10, 2007
A new model to study the phase transition from microstructures to nanostructures in ionic/ionic surfactants mixtureBeheshteh Sohrabi, Hussein Gharibi, Soheila Javadian, et al.Journal of Chemical Information and Modeling|May 6, 2026
Ensemble Machine Learning for Interpretable Prediction of Acute Toxicity in Metal-Organic Framework LinkersMohammad Hemmati, Sepideh Ein Moghassemi, Seyed Majid HashemianzadehJournal of Molecular Modeling|August 10, 2010
Modeling the adsorptive selectivity of carbon nanotubes for effective separation of CO₂/N₂ mixturesSeyedeh Saleheh Razavi, Seyed Majid Hashemianzadeh, Hedayat KarimiJournal of Molecular Modeling|February 7, 2008
The theoretical investigation of one of the derivatives of 1, 2-dithienylcyclopentene as a molecular switchMohammad Ali Safarpour, Seyed Majid Hashemianzadeh, Azam KasaeianJournal of Molecular Graphics & Modelling|February 6, 2022
Role of physicochemical characteristics of poly(N,N-diethylacrylamide) on the polymer thermal responsivity and interfacial properties in aqueous solution: All-atom simulation studySajad Rasouli, Seyed Majid Hashemianzadeh, Mohammad Reza MoghbeliAdvanced Pharmaceutical Bulletin|April 20, 2018
A Molecular Study on Drug Delivery System Based on Carbon Nanotube Compared to Silicon Carbide Nanotube for Encapsulation of Platinum-Based Anticancer DrugZahra Khatti, Seyed Majid Hashemianzadeh, Seyed Ali ShafieiPageof 4