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Sunil Kumar, Iqra Ali, Faheem Abbas, Anurag Rana, Sadanand Pandey, Manoj Garg & Deepak Kumar. (2023) In-silico design, pharmacophore-based screening, and molecular docking studies reveal that benzimidazole-1,2,3-triazole hybrids as novel EGFR inhibitors targeting lung cancer. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-23.
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Azizeh Shadidizaji, Kağan Tolga Cinisli, Mohamad Warda, Betul Cicek & Ahmet Hacimuftoglu. (2023) Virtual insights into the quercetin- Melampsora lini-derived effector AvrM14 interaction: An In silico exploration of plant defense mechanisms. Physiological and Molecular Plant Pathology, pages 102200.
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Sunil Kumar, Iqra Ali, Faheem Abbas, Nimra Khan, Manoj K. Gupta, Manoj Garg, Saroj Kumar & Deepak Kumar. (2023) In-silico identification of small molecule benzofuran-1,2,3-triazole hybrids as potential inhibitors targeting EGFR in lung cancer via ligand-based pharmacophore modeling and molecular docking studies. In Silico Pharmacology 11:1.
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Vidya Jyothi Alli, Pawan Yadav, Vavilapalli Suresh & Surender Singh Jadav. (2023) Synthetic and Medicinal Chemistry Approaches Toward WEE1 Kinase Inhibitors and Its Degraders. ACS Omega 8:23, pages 20196-20233.
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Liang Li, Chang'en Peng, Yonggang Wang, Chan Xiong, Yefang Liu, Chunjie Wu & Jiaolong Wang. (2022) Identify promising IKK-β inhibitors: A docking-based 3D-QSAR study combining molecular design and molecular dynamics simulation. Arabian Journal of Chemistry 15:5, pages 103786.
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Jiaolong Wang, Wenwen Chen, Hong Zhong, Yong Luo, Lilin Zhang, Lin He, Chunjie Wu & Liang Li. (2021) Identify of promising isoquinolone JNK1 inhibitors by combined application of 3D-QSAR, molecular docking and molecular dynamics simulation approaches. Journal of Molecular Structure 1225, pages 129127.
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Xiaojiao Luo, Yu Zhao, Pan Tang, Xingkai Du, Feng Li, Qingying Wang, Rong Li & Jun He. (2020) Discovery of new small-molecule cyclin-dependent kinase 6 inhibitors through computational approaches. Molecular Diversity 25:1, pages 367-382.
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Xingkai Du, Jian Li, Xiaojiao Luo, Rong Li, Feng Li, Yiwen Zhang, Jianyou Shi & Jun He. (2020) Structure-activity relationships of Wee1 inhibitors: A review. European Journal of Medicinal Chemistry 203, pages 112524.
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Eleni Tsanaktsidou, Christina Karavasili, Constantinos K. Zacharis, Dimitrios G. Fatouros & Catherine K. Markopoulou. (2020) Partial Least Square Model (PLS) as a Tool to Predict the Diffusion of Steroids Across Artificial Membranes. Molecules 25:6, pages 1387.
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Sathishkumar Chinnasamy, Gurudeeban Selvaraj, Chandrabose Selvaraj, Aman Chandra Kaushik, Satyavani Kaliamurthi, Abbas Khan, Sanjeev Kumar Singh & Dong-Qing Wei. (2020) Combining in silico and in vitro approaches to identification of potent inhibitor against phospholipase A2 (PLA2). International Journal of Biological Macromolecules 144, pages 53-66.
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