Hamed Haghshenas

A molecular dynamics investigation on the interaction properties of AzrC and its cofactor

H. Tavakol, M. Kay, F. Dehghanian, 2016, Journal of the Iranian Chemical Society.

Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase

H. Tavakol, M. Kay, F. Dehghanian, 2016, Journal of biomolecular structure & dynamics.

A DFT study on the interaction of doped carbon nanotubes with H2S, SO2 and thiophene

H. Tavakol, Hamed Haghshenas, 2020, Quantum Reports.

Development of pyrrolidine and isoindoline derivatives as new DPP8 inhibitors using a combination of 3D-QSAR technique, pharmacophore modeling, docking studies, and molecular dynamics simulations

Hamed Haghshenas, Bita Kaviani, Mojtaba Asad Samani, 2022, Molecular Simulation.

Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase

H. Tavakol, M. Kay, F. Dehghanian, 2016, Journal of biomolecular structure & dynamics.

Impact of Local and Nonlocal Vibronic Coupling on the Absorption and Emission Spectra of J- and H-Dimers.

Hamed Haghshenas, Frank C. Spano, 2024, Journal of chemical theory and computation.

Computational basis of TEAD‐3 protein noncovalent inhibition: 3D‐QSAR modeling and molecular dynamics simulation

Hamed Haghshenas, Bita Kaviani, Marzieh Ghani Dehkordi, 2024, Bulletin of the Korean Chemical Society.