C U R R I C U L U M V I T A E (CV)
Personal Information:
Family name: Mohammad-Aghaie
Assistant Professor of Physical Chemistry
Date of Birth: April 15, 1976
Place of Birth: Shiraz, Fars, Iran
Marital Status: Married, Two children
Permanent Address:
Department of Chemistry, College of Sciences, Shiraz University of Technology
Shiraz 71555-313, Iran
Phone: +98-711-7354501-2636
Mobile: +98-9173016171
Email: d_aghaie@sutech.ac.ir
d_aghaie@yahoo.com
Educations:
1994: Diploma in Empirical Sciences, Asieh High School, Shiraz
2000: Bsc, College of Sciences, Shiraz University
2003: Msc (Physical Chemsitry) Shiraz University, Thesis Title: Interaction Potential
from the Extended Law of Corresponding States and Semi-Empirical Calculation of
the Transport properties of Ar-H2 & Ar-F2 Gaseous Mixtures & Pure F2 at Low
Density by the Inversion Method.
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2009: PhD (Physical Chemistry) Shiraz University, Thesis Title: Predicting gas
Transport Coefficients of Pure & Mixture of Light Hydrocarbons, Halogenated
Methane, Ethane & Alternative Refrigerant Mixtures & Assessment of the Effect of
Mixing Rules on Transport Properties of Gas Mixtures.
Work Experiences:
(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 Technology.
Computing Skills
Familiar with Operating Systems: MS DOS, LINUX, and Windows, Programming in
QBasic, Fortran and MathLab environments.
Familiar with YASP, GROMACS and DL-poly simulation packages and Docking
Simulations
Teaching Experiences:
Under Graduate courses:
General Chemistry Lab & physical Chemistry Lab1, Shiraz University.
Graduate courses:
Advanced Physical chemistry, Shiraz University of Technology
Chemical Kinetics, Shiraz University of Technology
New Aspects in Physical Chemistry (Molecular Dynamics Simulation), Shiraz
University of Technology
Statistical Mechanics, Shiraz University of Technology
Special Topics in Physical Chemistry (Mathematics in Physical Chemistry), Shiraz
University of Technology
Chemical Thermodynamics of Solids, (PhD course), Shiraz University of
Technology
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Publications:
13) F. Keshavarz, D. Mohammad-Aghaie, T. Khayamian, HER-2 Based Design of
Pertuzumab Mimetic Peptides, Mol. Sim. (Accepted)
12) 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.
11) 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) 274286.
10) S. M. Hosseini, M. M. Alavianmehr, D. Mohammad-Aghaie, F. FadaeiNobandegani 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.
9) 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.
*
8) 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)
7) 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.
*
6) 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.
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Paper presented at the 8th International Workshop on Subsecond Thermophysics,
September 26-28, 2007, Moscow, Russia.
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5) 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.
4) 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) 220234.
3) 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.
2) M. M. Papari, D. Mohammad-Aghaie, Jalil Moghadasi and Ali Boushehri, SemiEmpirically Based Assessment for Predicting Dilute Gas Transport Properties of
F2 and Ar-F2 Fluids, Bull. Chem. Soc. Jpn. 79 (1), (2006) 67-74.
1) 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.
Conferences:
23) 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)
22) 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)
21) D. Mohammad-Aghaie, R. Rashidi, "Determination of Non-equilibrium
Properties
of
Ethylene-noble
Gas
Mixtures
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by
Employing
the
New
Intermolecular Potentials" 16th Iranian Physical Chemistry Conference, University
of Mazandaran, Tehran-Iran (3-6 September 2013)
20) 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)
19) 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)
18) 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, TabrizIran (22-24 May 2013)
17) 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)
15) 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)
14) 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)
13) D. Mohammad-Aghaie, “How Magnesium Ions Affect the Structure and LCLE Transition of DPPC Monolayers?", 9th IUPAC International Symposium on
Biomolecular Chemistry (ISBC-9) & 8th International Symposium for Chinese
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Medicinal Chemists (ISCMC-8), Beijing Conference Center, Beijing-China (25-29
August 2012)
12) 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)
11) 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)
10) 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)
9) 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)
8) D. Mohammad-Aghaie, F. Bresme, “Molecular Dynamics Simulations of Phase
Transitions in DPPC Monolayers”, Thermodynamics 2011, Athens-Greece (1-3
September 2011)
7) 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 (2628 February 2011).
6) 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).
5) 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).
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4) 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).
3) 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).
2) 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).
1) 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).
Workshops:
5) Drug Delivery Technology: Uncovering the Methods, Tabriz University of
Medical Sciences, Tabriz, 22nd-23rd May 2013. Presented by: Dr. Asif Husain Naqvi
(Chief Executive Officer, BioDiscovery Group, Solutions for Future & Software
Solutions)
4) 1st Iranian Seminar and Workshop on Computational Modeling and
Simulation of Biological Nano-Systems (CMSBS), Shahid Beheshti University of
Medical Sciences, Tehran, 5th-7th June 2012. Presented by: Prof. Seifollah Jalili.
3) Introductory Workshop on Amber Molecular Dynamics Simulations, EPSRC
National Service for Computational Chemistry Software, Imperial College London,
21st-23rd July 2008. Presented by: Dr. Ross Walker.
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2) Workshop on DL-Poly Molecular Dynamics Simulations, Chemistry College,
Isfahan University of Technology, 13rd-16th December 2005. Presented by: Dr.
Saman Alavi.
1) Workshop on Molecular Dynamics Simulation, Chemistry College, Isfahan
University of Technology, 11th-14th March 2005. Presented by: Prof. Florian Muller
Plathe.
Research Interests:
Thermodynamic and Transport Properties of Fluids,
Equations of States,
Molecular Dynamics Simulations of Membranes and Proteins,
Docking simulations and In Silico Drug Design.
Languages:
Mother Tongue: Persian.
Able to Speak Turkish and English Fluently.
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