Master Students:
K. Zergani (2012, Azad University); Effect of pressure and temperature on the water loss of polymer clays PAC-LV2, PAc3-UL, and PAC-4HV.
S.M. Sakebi Soroush (2012, Azad University); Investigating the effect of hydrocarbon gases on polymers used in high-density drilling fluid.
S. Soroush (2013, Azad University); Interaction of narcotic drugs and human serum albumin (HSA): Molecular docking and molecular dynamics simulation studies.
F. Jodairy (2013, Azad University); Interaction of Aflatoxin M1 with milk proteins using molecular docking and molecular dynamics simulation methods.
F. Hosseini (2016, University of Isfahan); Interaction of curcumin and quercetin with beta-lactoglobulin: the effect of protein genetic variants and investigation of competitive ligand binding.
M. Atrian Afiyani (2016, University of Isfahan); Interaction of serotonin and arachidonoyl serotonin with casein nanoparticles: a chemometrics and molecular modeling approach.
F. Namazifar (2016, University of Isfahan); Comparison between the action of RNA-aptamer analogs of PSMA using molecular docking and MD simulation methods.
Z. Adibipour (2016, University of Isfahan); Binding and loading of beta-casein nanoparticles as drug carrier with coumarin.
H. Abolhassani (2016, University of Isfahan); Binding assessment of adrenalin and arachidonic based synthetic derivative of adrenalin with nanoparticles of beta-casein: a chemometry and molecular modelling approach.
M. Ariyaeifar (2016, University of Isfahan); Synthesis, characterization and x-ray crystal structure of some new metal-salen complexes and their interaction studies with HSA and DNA.
Z. Fateminia (2017, University of Isfahan); Synthesis and characterization of some new ligands and complexes containing halogen and their interaction studies with HSA and DNA.
M. Dashtbani (2018, University of Isfahan); Interaction of carbon nanotube and DNA: a molecular dynamics simulation study.
Z. Chavoshpour-Natanzi (2018, University of Isfahan); Encapsulation of quercetin as an antioxidant in β-lactoglobulin nanoparticles.
M. Dehkhodaei (2018, University of Isfahan); Synthesis and characterization of new metal complexes as anti-cancer agents and their interaction studies with HSA and DNA.
F. Gaci (2020, Universite Gustave-Eiffel); Identification of new alpha-synuclein fibrillogenesis inhibitor using in silico structure-based virtual screening.
PhD students:
E. Sattarinejad (2016); Computational design of some piperine derivatives as novel survivin inhibitors.
H. Molaee (2018); A combined computational/experimental study on HSA binding of water-soluble Schiff base compounds.
A. Jamshidvand (2018); Studies on DNA binding properties of new Schiff base ligands using spectroscopic, electrochemical and computational methods.
A. Saleh (present); Multi-scaled simulation of proteins-materials interactions.
M. Asgari Bajgirani (2024, University of Lorestan); Computational investigation on CO2 capturing and H2 storage capacity of modified Graphdiyne
Postdoc researchers:
Meriem Sahnoune Millot (Present, Simatlab); Multi-scaled simulation of bioactive molecules-materials interactions.
H. Zhao (Present, Simatlab); Multi-scaled simulation of proteins-materials interactions.