مقالات‌ چاپ‌شده با استفاده از منابع پردازشی مرکز

ردیفعنوان مقالهنویسندگانعنوان مجله / کنفرانسسال چاپ
1.In silico design of novel anticancer drugs with amino acid and carbohydrate building blocks to inhibit PIM kinasesSepideh Kalhor and A. FattahiMolecular Simulation2022
2.Computational insight into networking H-bonds in open and cyclic forms of galactoseZ. Mosapour Kotena and A. FattahiJournal of Molecular Structure2022
3.Role of Herzberg–Teller Vibronic Coupling in Surface-Enhanced Resonance Raman Spectra of 4,4′-Diaminotolane with Nearly Close Molecular and Charge-Transfer TransitionsZ. Jamshidi, S. Ashtari-Jafari, A. Smirnov, and E. V. SolovyevaThe Journal of Physical Chemistry C2021
4.Structural and Dynamical Fingerprints of the Anomalous Dielectric Properties of Water Under ConfinementI. Ahmadabadi, A. Esfandiar, A. Hassanali, and M.R. EjtehadiPhysics Review Materials2021
5.How Do Adsorbent Orientation and Direction of External Electric Field Affect the Charge-Transfer Surface-Enhanced Raman SpectraS. Ashtari-Jafari and Z. JamshidiThe Journal of Physical Chemistry C2021
6.First Principle Simulation of Coated Hydroxychloroquine on Ag, Au and Pt NanoparticlesR. Morad, M. Akbari, P. Rezaee, A. Koochaki, M. Maaza, and Z. JamshidiScientific Reports2021
7.Locomotion of the C60-based Nanomachines on Graphene SurfacesS.M. Mofidi, H.N. Pishkenari, M.R. Ejtehadi, and A.V. AkimovScientific Reports2021
8.Glycan-Mediated Functional Assembly of IL-1RI: Structural Insights into Completion of the Current Description for Immune ResponseM. Azimzadeh Irani and M.R. EjtehadiJournal of Biomolecular Structure and Dynamics2020
Sample acknowledgement statements:
– We would like to thank Sharif High Performance Computing (HPC) center for providing the computational resources of this research.
– The authors acknowledge the High Performance Computing (HPC) Center at Sharif University of Technology for providing computational resources that have contributed to this research .
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