Fatemeh Haghighi

An experienced & accomplished Computational Chemist with a demonstrated history of working on various computer-

aided molecular dynamics simulation projects.

My research interests focus on molecular dynamics simulation, drug design studies, binding and free energy calculations, force field development and correspondent experimental wet lab.

Molecular Dynamic Simulation: Protein-ligand, Membrane bilayer, Drug delivery, Binding energy, Coarse-

grained (Gromacs, CHARMM, Amber tools, Martini)

 Material Studio

 Docking (Autodock), Molegro Virtual Docker

 QSAR, Chemoface

 Spartan (conformer search, energy minimization...)

 VMD, Modeller, Pymol, Chimera, Discovery Studio

 Gaussian (Molecule Optimization, Energy calculation, Spectroscopy calculations)

 MATLAB, Python, R Studio (Visualizations, Statistical tests, Deep Learning and Machine Learning(beginner))

 Expérimental techniques

 UV VIS spectroscopy, FTIR, GC, HPLC

PhD, Chemistry 2019

Université Bourgogne Franche-Comté, France

Prediction of impact of ticagrelor on the lipid composition and P2Y12 receptor of platelet membrane by molecular dynamic simulation and docking