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Sefa Celik, Sevim Akyuz & Aysen E. Ozel. (2023) Structural and vibrational investigations and molecular docking studies of a vinca alkoloid, vinorelbine. Journal of Biomolecular Structure and Dynamics 41:19, pages 9666-9685.
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Sefa Celik, Gozde Yilmaz, Sevim Akyuz & Aysen E. Ozel. (2023) Shedding light into the biological activity of aminopterin, via molecular structural, docking, and molecular dynamics analyses. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-22.
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Sankar Muthumanickam, Balajee Ramachandran, Pandi Boomi, Jeyaraman Jeyakanthan, Halliah Gurumallesh Prabu, Sonamuthu Jegatheswaran & Kumpati Premkumar. (2023) Combination of bendamustine-azacitidine against Syk target of breast cancer: an in silico study. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-13.
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Jyotshna Saikia, Th. Gomti Devi & T. Karlo. (2023) Synthesis, spectroscopic, and molecular interaction study of lead(II) complex of DL-alanine using experimental techniques and quantum chemical calculations. Journal of Molecular Structure 1283, pages 135208.
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Hussien Ahmed Khamees, Mahesh Sankanahalli Srinivas, Omantheswara Nagaraja, Mahendra Madegowda, Vindu Vahini M, Kumara Chaluvaiah, Jagadeesh Prasad Dasappa & Ismail Warad. (2023) Studies on New Imidazo[2,1-b][1,3,4]thiadiazole Derivatives: Molecular Structure, Quantum Chemical Computational, and In silico Study of Inhibitory Activity Against Pim-1 Protein by using Molecular Modelling Methods and ADMET Profiling. Journal of Molecular Structure 1272, pages 134161.
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Arulvani Kathavarayan, Venkateswaramoorthi Ramasamy, Ramachandran Rajamanickam & Gunavathi Subramaniyan. (2022)
Synthesis, Crystal Structure, Hirshfeld Surface and Docking Studies of 2‐(methacryloyloxy)ethyl‐6‐amino‐5‐cyano‐2‐methyl‐4‐(thiophen‐2‐yl)‐4
H
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Zhao Liu, Shu-Tao Wang, Yan-Song Hu, Jia-Rong You, Yong-Sheng Xv & Jun-Qiang Lei. (2022) Theoretical Study on Spectrum and Luminescence Mechanism of Indocyanine Green Dye Based on Density Functional Theory (DFT). Journal of Chemistry 2022, pages 1-8.
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Aamer Saeed, Syeda Abida Ejaz, Aqsa Khalid, Pervaiz Ali Channar, Mubashir Aziz, Qamar Abbas, Tanveer A. Wani, Nawaf A. Alsaif, Mohammed M. Alanazi, Abdullah M. Al-Hossaini, Nojood Altwaijry, Seema Zargar, Muawya Elhadi & Tuncer Hökelek. (2022) Acetophenone-Based 3,4-Dihydropyrimidine-2(1H)-Thione as Potential Inhibitor of Tyrosinase and Ribonucleotide Reductase: Facile Synthesis, Crystal Structure, In-Vitro and In-Silico Investigations. International Journal of Molecular Sciences 23:21, pages 13164.
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