Delara Mohammad-Aghaie
Associate Professor of physical chemistry
Academic Appointments
Honors & Awards
Contact
Professional Education
B.Sc., Shiraz University, Pure Chemistry, (2000)
M.Sc., Shiraz University, Physical Chemistry, (2003)
Ph.D., Shiraz University, Physical Chemistry, (2009)
(June-November-2008) Academic Visitor in Imperial College London for Six Months, in Collaboration with Dr. Fernando Bresme (Molecular Dynamics Simulation Project). (Since August 2009) Assistant Professor in Shiraz University of TechnologyCourses
Current Research
All Publications
1) F. Hamedi, D. Mohammad-Aghaie, Molecular Insight into the Mutual Interactions of Two Transmembrane Domains of Human Glycine Receptor (TM23-GlyR), with the Lipid Bilayers, Phys. Chem. Res. 8 (2020) 373-397.
2) D. Mohammad-Aghaie, M. N. Soltani Rad, R. Yousefi, N. Parvizi, S. Behrouz, M. M. Alavianmehr, Probing the Binding of Valacyclovir Hydrochloride to the Human Serum Albumin, Phys. Chem. Res. 7 (2019) 751-764.
3) D. Mohammad-Aghaie, F. Hamedi, M. N. Soltani Rad, Spectroscopic, Docking and Molecular Dynamics Simulation Studies on the Interaction of Etofylline and Human Serum Albumin, Phys. Chem. Res. 7 (2019) 681-699.
4) D. Mohammad-Aghaie, E. Sookhaki, F. Zargari, Semi Empirical Calculation of Intermolecular Potentials and Transport Properties of Some Binary and Ternary Industrial Refrigerant Mixtures, Phys. Chem. Res. 7 (2019) 271-293.
5) F. Akbari, M. M. Alavianmehr, R. Behjatmanesh, D. Mohammad-Aghaie, Thermophysical Properties of Ionic Liquids and Their Mixtures from a New Equation of State, Ionics. 24 (2018) 1357-1369. 6) F. Zargari, D. Mohammad-Aghaie, M. Lotfi, M. Ghorbanipour, M. M. Alavianmehr, O. Shahraki, Transport Properties of Dilute Ammonia-Noble Gas Mixtures from New Intermolecular Potential Energy Functions, Chin. J. Chem. Eng. 25 (2017) 1727-1734. 7) F. Akbari, M. M. Alavianmehr, R. Behjatmanesh Ardakani, D. Mohammad-Aghaie, A New Equation of State for Metal Alloys, Phys. Chem. Liq. 55 (2017) 153-164. 8) D. Mohammad-Aghaie, F. Bresme, Force-field Dependence on the Liquid-Expanded to Liquid-Condensed Transition in DPPC Monolayers, Mol. Sim. 42 (2016) 391-397. 9) F. Keshavarz, D. Mohammad-Aghaie, Dual-Target Anticancer Drug Candidates: Rational Design and Simulation Studies, Phys. Chem. Res. 3 (2015) 125-143. 10) F. Keshavarz, D. Mohammad-Aghaie, T. Khayamian, HER-2 Based Design of Pertuzumab Mimetic Peptides, Mol. Sim. 41 (2015) 1298-1307. 11) M. M. Alavianmehr, R. Yousefi, F. Keshavarz and D. Mohammad-Aghaie, Probing the Binding of ThioTEPA to Human Serum Albumin Using Spectroscopic and Molecular Simulation Approaches, Can. J. Chem. 92 (2014) 1066-1073. 12) D. Mohammad-Aghaie, M. M. Papari and A. R. Ebrahimi, Determination of Transport Properties of Dilute Binary Mixtures Containing Carbon Dioxide Through Isotropic Pair Potential Energies. Chin. J. Chem. Eng., 22 (2014) 274-286. 13) S. M. Hosseini, M. M. Alavianmehr, D. Mohammad-Aghaie, F. Fadaei-Nobandegani and J. Moghadasi, Volumetric Properties of Ionic Liquids from Cubic Equation of State: Application to Pure and Mixtures, J. Ind. Eng. Chem., 19 (2013) 769-775. 14) M. M. Papari, S. Amighi, M. Kiani, D. Mohammad-Aghaie and B. Haghighi, Modification of a Statistical Mechanically-Based Equation of State: Application to Ionic Liquids, J. Mol. Liq., 175 (2012) 61-66. 15) D. Mohammad-Aghaie, M. M. Papari and F. Zargari, Modeling Transport Properties of N2-Noble Gas Mixtures at Low and Moderate Densities, Bull. Chem. Soc. Jpn., 85 (2012) 563-575. (Selected Paper by BCSJ) 16) D. Mohammad-Aghaie, F. Bresme, E. Mace, J. Seddon and C. Sennoga. Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers, J. Phys. Chem. B, 114 (2010) 1325-1335. 17) J. Moghadasi, D. Mohammad-Aghaie and M. M. Papari, M. A. Faghihi. Predicting Gas Transport Properties of Light Hydrocarbon Mixtures as Candidates for New Refrigerants, High Temp. – High Press. 37 (2008) 299-316. 18) D. Mohammad-Aghaie, M. M. Papari, J. Moghadasi and B. Haghighi. Assessment of the Effect of Mixing Rules on Transport Properties of gas Mixtures, Bull. Chem. Soc. Jpn. 81 (2008) 1219-1229. 19) J. Moghadasi, M. M. Papari, D. Mohammad-Aghaie and A. Campo. Gas Transport Coefficients of Light Hydrocarbons, Halogenated Methane and Ethane as Candidates for New Refrigerants, Bull. Chem. Soc. Jpn. 81 (2008) 220-234. 20) J. Moghadasi, D. Mohammad-Aghaie and M. M. Papari, Predicting Gas Transport Coefficients of Alternative Refrigerant Mixtures, Ind. Eng. Chem. Res. 45 (2006) 9211-9223. 21) M. M. Papari, D. Mohammad-Aghaie, Jalil Moghadasi and Ali Boushehri, Semi-Empirically Based Assessment for Predicting Dilute Gas Transport Properties of F2 and Ar-F2 Fluids, Bull. Chem. Soc. Jpn. 79 (1), (2006) 67-74. 22) M. M. Papari, D. Mohammad-Aghaie, B. Haghighi and A. Boushehri, Transport Properties of argon-hydrogen gaseous mixture from an effective unlike interaction, Fluid Phase Equilib. 232 (2005) 122-135. Conference Publications 1) Mohammad-Aghaie and F. Razavi, "In Silico Design and Molecular Dynamics Simulation of Glycophorin A Transmembrane Dimer, in Pure DPPC and Mixed DPPC-DMPC Phospholipid Bilayers", 20th Iranian Physical Chemistry Conference, Arak University, Arak-Iran (23-25 August 2017) 2) D. Mohammad-Aghaie and F. Hamedi, "Spectroscopic Studies on the Interaction Between Etofylline and Human Serum Albumin", 20th Iranian Physical Chemistry Conference, Arak University, Arak-Iran (20-22 August 2017) 3) D. Mohammad-Aghaie and E. Sookhaki, "Semi-Empirical Evaluation of Viscosity Coefficients for refrigerant Mixtures; R410A, R421B and R125+R134a at Moderate Density Regimes", 18th Iranian Physical Chemistry Conference, University of Tehran, Kish International Campus, Kish-Iran (5-8 March 2016) 4) D. Mohammad-Aghaie and A. Karami, "Molecular Dynamics Simulation Study of Two Different Structures of T4 Lysozyme", 13th Conference on Biophysical Chemistry, Ardabil-Iran (26-27 May 2015) 5) D. Mohammad-Aghaie and F. Razavi, "Molecular Dynamics Simulation Study of Temperature Effect on the Structure of Hen Egg White Lysozyme", 13th Conference on Biophysical Chemistry, Ardabil-Iran (26-27 May 2015) 6) D. Mohammad-Aghaie and F. Haddad, "In Silico Design of New Anti-Fungal Agents Through Molecular Dynamics and Docking Simulations", 13th Conference on Biophysical Chemistry, Ardabil-Iran (26-27 May 2015) 7) D. Mohammad-Aghaie, M. M. Alavianmehr and N. Azadi, "Calculation of Volumetric Properties Using Modified Tao-Mason Equation of State for Some Polymer Blends and Polymer Solutions", 17th Iranian Chemistry Congress, Rafsanjan-Iran (1-3 September 2014) 8) D. Mohammad-Aghaie and E. Sookhaki, "Determination of Interaction Potential and Transport Properties for Some Ozone Friendly Refrigerant Mixtures", 17th Iranian Chemistry Congress, Rafsanjan-Iran (1-3 September 2014) 9) N. Parvizi, M. M. Alavianmehr, R. Yousefi, D. Mohammad-Aghaie and M. N. Soltani Rad, "Probing the Binding of Valacyclovir to Human Serum Albumin Using Spectroscopic and Molecular Simulation Approaches" 27th European Symposium on Applied Thermodynamics, ESAT 2014, Eindhoven University of Technology, Eindhoven- The Netherlands (6-9 July 2014) 10) D. Mohammad-Aghaie, N. Parvizi and M. M. Alavianmehr, " Molecular Dynamics Simulation Study of the R249S and R273H Cancer-Associated Mutations in the p53 DNA-Binding Core Domain" The 5th Iranian Conference on Bioinformatics, Tehran-Iran (20-22 May 2014) 11) D. Mohammad-Aghaie, R. Rashidi, "Determination of Non-equilibrium Properties of Ethylene-noble Gas Mixtures by Employing the New Intermolecular Potentials" 16th Iranian Physical Chemistry Conference, University of Mazandaran, Tehran-Iran (3-6 September 2013) 12) D. Mohammad-Aghaie, M. N. Soltani Rad and M. Halvani, "Computer Design of Novel Alkylating-agents as Anti-Cancer Drugs", Frontiers in Chemistry (ArmChemFront), Yerevan, Armenia (25-29 August 2013) 13) D. Mohammad-Aghaie, Z. Jafari "In Silico Design of New Selective Cyclooxygenase-2 (COX-2) Inhibitors", Frontiers in Chemistry (ArmChemFront), Yerevan, Armenia (25-29 August 2013) 14) D. Mohammad-Aghaie, Z. Jafari “Docking and Molecular Dynamics Simulation Studies of Interactions between Cyclooxygenases Enzymes and Celecoxib Drug", 1st Tabriz International Life Science Conference & 12th Iran Biophysical Chemistry Conference, Tabriz University of Medical Sciences, Tabriz-Iran (22-24 May 2013) 15) D. Mohammad-Aghaie, M. Halvani “How the Structure of Interferon-Alpha Responds to Temperature Change?", 15th Iranian Physical Chemistry Conference, University of Tehran, Tehran-Iran (3-6 September 2012) 16) D. Mohammad-Aghaie, Z. Jafari “Molecular Dynamics Simulation Study of Two Single Mutations of Coil 2B of Human Lamin", 15th Iranian Physical Chemistry Conference, University of Tehran, Tehran-Iran (3-6 September 2012) 17) D. Mohammad-Aghaie, F. Sabzi and H. Moslehi “Application of PHSC Equation of State to PEG and PPG Polymers", 15th Iranian Physical Chemistry Conference, University of Tehran, Tehran-Iran (3-6 September 2012) 18) T. Khayamian, F. Keshavarz, D. Mohammad-Aghaie, M. M. Alavianmehr “Design and Analysis of a Novel Anti-Cancer Oligopeptide Targeting HER-2: an in silico Approach", 9th IUPAC International Symposium on Biomolecular Chemistry (ISBC-9) & 8th International Symposium for Chinese Medicinal Chemists (ISCMC-8), Beijing Conference Center, Beijing-China (25-29 August 2012) 19) D. Mohammad-Aghaie, “How Magnesium Ions Affect the Structure and LC-LE Transition of DPPC Monolayers?", 9th IUPAC International Symposium on Biomolecular Chemistry (ISBC-9) & 8th International Symposium for Chinese Medicinal Chemists (ISCMC-8), Beijing Conference Center, Beijing-China (25-29 August 2012) 20) D. Mohammad-Aghaie, “Study of Hydrophobic Mismatch Alleviation Mechanism by Molecular Dynamics Simulation of KALP15 Peptide in DPPC Bilayer", 18th Iranian Organic Chemistry Seminar, Zahedan-Iran (7-9 March 2012) 21) D. Mohammad-Aghaie, M. Ghorbanipour, “An Atomic Interpretation of Calcium Induced Order in a Lipid Monolayer", 18th Iranian Organic Chemistry Seminar, Zahedan-Iran (7-9 March 2012) 22) D. Mohammad-Aghaie, F. Bresme, M. Ghorbanipour and M. M. Papari, “Deuterium Order Parameter as an Evidence for Liquid Condensed (LC)-Liquid Expanded (LE) Transition in Phospholipid Monolayers", 15th Iranian Chemistry Congress, Hamedan-Iran (4-6 September 2011) 23) D. Mohammad-Aghaie, M. Ghorbanipour and M. M. Papari, “Molecular Dynamics Simulation of MgCl2 and CaCl2 Effect on Water Surface Tension", 15th Iranian Chemistry Congress, Hamedan-Iran (4-6 September 2011) 24) D. Mohammad-Aghaie, F. Bresme, “Molecular Dynamics Simulations of Phase Transitions in DPPC Monolayers”, Thermodynamics 2011, Athens-Greece (1-3 September 2011) 25) F. Zargari, D. Mohammad-Aghaie and M. M. Papari, “Transport Properties in Mixtures Involving Nitrogen at Low and Moderate Density”, 14th Iranian Physical Chemistry Seminar, University of Tehran, Kish International Campus, Kish- Iran (26-28 February 2011). 26) D. Mohammad-Aghaie, “The Effect of Cut-off Length on the LC-LE Transitions in DPPC Monolayers”, 14th Iranian Physical Chemistry Seminar, University of Tehran, Kish International Campus, Kish- Iran (26-28 February 2011). 27) D. Mohammad-Aghaie, F. Bresme, “The Effect of Using Two Different Water Models on the Pressure-Area Isotherm of DPPC Monolayer”, 13th Iranian Physical Chemistry Seminar, Shiraz University of Technology, Shiraz-Iran (12-15 April 2010). 28) D. Mohammad-Aghaie, F. Bresme, “Molecular Dynamics Simulations of Liquid Condensed to Liquid Expanded Transitions in DPPC Monolayers”, 12th Iranian Physical Chemistry Seminar, Kurdistan University, Sanandaj-Iran. (20-23 July 2009). 29) M. N. Soltani Rad, M. M. Papari, J. Moghadasi and D. Mohammad-Aghaie, "Gas Transport Coefficients of Alternative Halogenated Methane and Ethane and Their Mixtures as Candidates for New Refrigerants", 20th International Conference on Chemical Thermodynamics, Warsaw, Poland (3-8 August 2008). 30) D. Mohammad-Aghaie, M. M. Papari and J. Moghadasi , " Assessment of the Effect of Mixing Rules on Predicting the Viscosity and the Thermal Conductivity of Some Binary and Ternary Refrigerant Mixtures", 8th Iranian Physical Chemistry Seminar, Ferdowsi University of Mashhad, Mashhad-Iran. (21-24 November 2005). 31) D. Mohammad-Aghaie, J. Moghadasi and M. M. Papari, " Calculation of Transport Properties for Some Pure Alkane Systems and Their Binary, Ternary and Quaternary Mixtures", 7th International Physical Chemistry Seminar, Isfahan University of Technology, Isfahan, Iran.(8-10 March 2005).