Members

Master Students:

S. Soroush (2013); Interaction of narcotic drugs and human serum albumin (HSA): Molecular docking and molecular dynamics simulation studies.
F. Jodairy (2013); Interaction of Aflatoxin M1 with milk proteins using molecular docking and molecular dynamics simulation methods.
F. Hosseini (2016); Interaction of curcumin and quercetin with beta-lactoglobulin: the effect of protein genetic variants and investigation of competitive ligand binding.
M. Atrian Afiyani (2016); Interaction of serotonin and arachidonoyl serotonin with casein nanoparticles: a chemometrics and molecular modeling approach.
F. Namazifar (2016); Comparison between the action of RNA-aptamer analogs of PSMA using molecular docking and MD simulation methods.
Z. Adibipour (2016); Binding and loading of beta-casein nanoparticles as drug carrier with coumarin.
H. Abolhassani (2016); 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); Synthesis, characterization and x-ray crystal structure of some new metal-salen complexes and their interaction studies with HSA and DNA.
Z. Fateminia (2017); Synthesis and characterization of some new ligands and complexes containing halogen and their interaction studies with HSA and DNA.
M. Dashtbani (2018); Interaction of carbon nanotube and DNA: a molecular dynamics simulation study.
Z. Chavoshpour-Natanzi (2018); Encapsulation of quercetin as an antioxidant in β-lactoglobulin nanoparticles.
M. Dehkhodaei (2018); Synthesis and characterization of new metal complexes as anti-cancer agents and their interaction studies with HSA and DNA.
F. Gaci (2020); 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); Computational investigation on CO2 capturing and H2 storage capacity of modified Graphdiyne