Hamed Haghshenas, and Frank C. Spano.”Impact of Local and Nonlocal Vibronic Coupling on the Absorption and Emission Spectra of J- and H-Dimers.” Journal of chemical theory and computation, (2024).
Bita Kaviani, Marzieh Ghani Dehkordi, and Hamed Haghshenas. “Computational basis of TEAD‐3 protein noncovalent inhibition: 3D‐QSAR modeling and molecular dynamics simulation.” Bulletin of the Korean Chemical Society, (2024).
Bita Kaviani, Mojtaba Asad Samani, Hamed Haghshenas, and Marzieh Ghani Dehkordi. “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.” Molecular Simulation 49, no. 1 (2023): 85-98.
Hossein Tavakol, and Hamed Haghshenas. “A DFT study on the interaction of doped carbon nanotubes with H2S, SO2 and thiophene.” Quantum Reports 3, no. 3 (2021): 366-375.
Hamed Haghshenas, Bita Kaviani, Monireh Firouzeh, and Hossein Tavakol. “Developing a variation of 3D‐QSAR/MD method in drug design.” Journal of Computational Chemistry 42, no. 13 (2021): 917-929.
Hamed Haghshenas, Hossein Tavakol, Bita Kaviani, and Gholamhossein Mohammadnezhad. “AMBER Force Field Parameters for Cobalt-Containing Biological Systems: A Systematic Derivation Study.” The Journal of Physical Chemistry B 124, no. 5 (2020): 777-787.
Fariba Dehghanian, Hamed Haghshenas, Maryam Kay, and Hossein Tavakol. “A molecular dynamics investigation on the interaction properties of AzrC and its cofactor.” Journal of the Iranian Chemical Society 13 (2016): 2143-2153.
Hamed Haghshenas, Maryam Kay, Fariba Dehghanian, and Hossein Tavakol. “Molecular dynamics study of biodegradation of azo dyes via their interactions with AzrC azoreductase.” Journal of Biomolecular Structure and Dynamics 34, no. 3 (2016): 453-462.
Conferences
Hajar Taheri, Karim Mahnam, Azade Hoghoughi, and Hamed Haghshenas. “Investigation of pH effect on α1-antitrypsin structure via molecular dynamics simulation.” 1st Tabriz International Life Science Conference and 12th Iran Biophysical Chemistry Conference, (2013).
Hamed Haghshenas and Karim Mahnam. “Theoretical analysis of some novel Derivatives of Sandimmun to its receptor in order to design a novel drug by molecular docking.” Iranian Conference On Bioinformatics 4 (2012).
Azade Hoghoughi, Karim Mahnam, Hajar Taheri, and Hamed Haghshenas. “Studies of Docking Cladribine, Fingolimod and mutated types to promoter of P53.” Iranian Conference On Bioinformatics 4, (2012).