- Golshan Golshanian, Mohammad Mehdi Alavianmehr, Mohammad Navid Soltani Rad, Delara Mohammad-Aghaie, Somayeh Behrouz, Mohsen Sorouri, "Interaction of a novel antibacterial and analgesic Ionic Liquid, 8-caffeinyl piperazinyl salicylate, with human serum albumin: Insights from fluorescence spectroscopy and molecular dynamics", JOURNAL OF MOLECULAR STRUCTURE, vol. 1364, 2026
- Farshad Rostami khaje langi, Delara Mohammad-Aghaie, Omid Bavi, "Molecular dynamics deciphers drug-dependent stability in therapeutic liposomes", CHEMISTRY AND PHYSICS OF LIPIDS, vol. 274, 2026
- Samaneh Boroomand, Delara Mohammad-Aghaie, Fatemeh Mohammadpour, "Molecular dynamics insights of organic and inorganic aerosol interactions with a DPPC-based lung surfactant membrane model", Computational and Theoretical Chemistry, vol. 1255, 2026
- Samaneh Boroomand, Delara Mohammad-Aghaie, Fatemeh Mohammadpour, "Deep eutectic solvents: A strategy for boosting alprazolam solubility and permeability in an intestinal membrane model", JOURNAL OF MOLECULAR LIQUIDS, vol. 438, 2025
- Samaneh Boroomand, Delara Mohammad-Aghaie, Fatemeh Mohammadpour, "Molecular dynamics and DFT analysis of artemisinin solubility in acidic deep eutectic solvents: Implications for cancer drug delivery", JOURNAL OF MOLECULAR LIQUIDS, vol. 435, 2025
- Samaneh Boroomand, Delara Mohammad-Aghaie, Fatemeh Mohammadpour, "Molecular dynamics insight of interaction between Artemisinin and its derivatives and the cancer cell membrane", Computational and Theoretical Chemistry, vol. 1243, 2025
- Mohammad Ali Dashti, Delara Mohammad-Aghaie, Omid Bavi, "Disrupting SARS-CoV-2: molecular dynamics insights into the role of human ?-defensin 2 and ?-defensin 5 peptides in membrane structure alteration", Chemical Physics Impact, vol. 9, 2024
- Negar Parvizi, Falamarz Akbari, Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, "Thermophysical properties of biodiesel fuels from modified perturbed hard trimer chain equation of state", HIGH TEMPERATURES-HIGH PRESSURES, vol. 51, 2022
- Negar Parvizi, Delara Mohammad-Aghaie, Mohammad Navid Soltani Rad, Somayeh Behrouz, Mohammad Mehdi Alavianmehr, "Shedding light on the bimolecular interactions of Cafaminol and human serum albumin: spectroscopic characterization and in-silico investigation", JOURNAL OF BIOMOLECULAR STRUCTURE and DYNAMICS, vol. 11, 2022
- Haleh Ghazi Pour, A. Gutiérrez, Delara Mohammad-Aghaie, Mohammad Mehdi Alavianmehr, S.M. Hosseini, S. Aparicio, "Insights on biodiesel blends with alkanol solvents", JOURNAL OF MOLECULAR LIQUIDS, vol. 332, 2021
- , Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, Reza Yousefi, Mohsen Golbon Haghighi, Ali Akbar Moosavi-Movahedi, Mohammad Navid Soltani Rad, "Insights into Platinum Complex-HSA Bindings: Spectral and Molecular Dynamics Simulation Studies", Physical Chemistry Research, vol. 9, 2021
- , Delara Mohammad-Aghaie, "Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers", Physical Chemistry Research, vol. 8, 2020
- Delara Mohammad-Aghaie, , Zargari Farshid, "Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures", Physical Chemistry Research, vol. 7, 2019
- Delara Mohammad-Aghaie, Mohammad Navid Soltani Rad, Yousefi Reza, , Somayeh Behrouz, Mohammad Mehdi Alavianmehr, "Probing the binding of valacyclovir hydrochloride to the human serum albumin", Physical Chemistry Research, vol. 7, 2019
- Delara Mohammad-Aghaie, , Mohammad Navid Soltani Rad, "Spectroscopic, docking and molecular dynamics simulation studies on the interaction of etofylline and human serum albumin", Physical Chemistry Research, vol. 7, 2019
- F. Akbari, Mohammad Mehdi Alavianmehr, R. Behjatmanesh Ardakani, Delara Mohammad-Aghaie, "Thermophysical properties of ionic liquids and their mixtures from a new equation of state", IONICS, vol. 24, 2018
- Farshid Zargari, Delara Mohammad-Aghaie, Maryam Lotfi, Masoume Ghorbanipour, Mohammad Mehdi Alavianmehr, Omolbanin Shahraki, "Transport properties of dilute ammonia-noble gas mixtures from new intermolecular potential energy functions", CHINESE JOURNAL OF CHEMICAL ENGINEERING, vol. 25, 2017
- Falamarz Akbari, Mohammad Mehdi Alavianmehr, reza Behjatmanesh ardakani, Delara Mohammad-Aghaie, "A new equation of state for metal alloys", PHYSICS AND CHEMISTRY OF LIQUIDS, vol. 55, 2016
- Delara Mohammad-Aghaie, Fernando Bresme, "Force-field dependence on the liquid-expanded to liquid-condensed transition in DPPC monolayers", MOLECULAR SIMULATION, vol. 42, 2016
- Fatemeh Keshavarz, Delara Mohammad-Aghaie, "Dual-Target Anticancer Drug Candidates Rational Design and Simulation Studies", Physical Chemistry Research, vol. 3, 2015
- Fatemeh Keshavarz, Delara Mohammad-Aghaie, Taghi Khayamian, "HER-2-based design of pertuzumab mimetic peptides", MOLECULAR SIMULATION, vol. 41, 2015
- Delara Mohammad-Aghaie, Mohammad Mehdi Alavianmehr, Amjad Reza Ebrahimi, "Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide through Isotropic Pair Potential Energies", CHINESE JOURNAL OF CHEMICAL ENGINEERING, vol. 22, 2014
- Mohammad Mehdi Alavianmehr, Reza Yousefi, Fatemeh Keshavarz, Delara Mohammad-Aghaie, "Probing the binding of thioTEPA to human serum albumin using spectroscopic and molecular simulation approaches", CANADIAN JOURNAL OF CHEMISTRY, vol. 92, 2014
- sayed Mostafa Hosseini, Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, Fatemeh Fadaei-Nobandegani, Jalil Moghadasi, "Volumetric properties of ionic liquids from cubic equation of state Application to pure and mixture", JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY, vol. 19, 2013
- Mohammad Mehdi Alavianmehr, , M. Kiani, Delara Mohammad-Aghaie, Behzad Haghighi, "Modification of a statistical mechanically-based equation of state Application to ionic liquids", JOURNAL OF MOLECULAR LIQUIDS, vol. 175, 2012
- Delara Mohammad-Aghaie, Mohammad Mehdi Alavianmehr, Farshid Zargari shastan, "Modeling Transport Properties of N2Noble Gas Mixtures at Low and Moderate Densities", BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, vol. 85, 2012
- Delara Mohammad-Aghaie, Emilie Mace, Charles A. Sennoga, John M. Seddon, Fernando Bresme, "Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers", JOURNAL OF PHYSICAL CHEMISTRY B, vol. 114, 2010
- Jalil Moghadasi, Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, Antonio Campo, "Gas Transport Coefficients of Light Hydrocarbons. Halogenated Methane and Ethane as Candidates for New Refrigerants", BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, vol. 81, 2008
- Delara Mohammad-Aghaie, Mohammad Mehdi Alavianmehr, Jalil Moghadasi, Behzad Haghighi, "Assessment of the Effect of Mixing Rules on Transport Properties of Gas Mixtures", BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, vol. 81, 2008
- Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, Jalil Moghadasi, Ali Boushehri, "Semi-Empirically Based Assessment for Predicting Dilute Gas Transport Properties of F2and Ar-F2Fluids", BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, vol. 79, 2006
- J. Moghadasi, Delara Mohammad-Aghaie, Mohammad Mehdi Alavianmehr, "Predicting Gas Transport Coefficients of Alternative Refrigerant Mixtures", INDUSTRIAL and ENGINEERING CHEMISTRY RESEARCH, vol. 45, 2006
- Mohammad Mehdi Alavianmehr, Delara Mohammad-Aghaie, Behzad Haghighi, Ali Boushehri, "Transport properties of argon-hydrogen gaseous mixture from an effective unlike interaction", FLUID PHASE EQUILIBRIA, vol. 232, 2005