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Journal of Biomolecular Structure & Dynamics|January 13, 2024
Revealing curcumin therapeutic targets on SRC, PPARG, MAPK8 and HSP90 as liver cirrhosis therapy based on comprehensive bioinformatic studyKhalish Arsy Al Khairy Siregar, Putri Hawa Syaifie, Muhammad Miftah Jauhar, et al.Journal of Biomolecular Structure & Dynamics|January 4, 2024
Structural and functional analysis of engineered antibodies for cancer immunotherapy: insights into protein compactness and solvent accessibilitySamvedna Saini, Yatender KumarJournal of Biomolecular Structure & Dynamics|January 4, 2024
T6496 targeting EGFR mediated by T790M or C797S mutant: machine learning, virtual screening and bioactivity evaluation studyLinxiao Wang, Dang Fan, Wei Ruan, et al.Journal of Biomolecular Structure & Dynamics|January 2, 2024
A combined ligand-based and structure-based in silico molecular modeling approach to pinpoint the key structural attributes of hydroxamate derivatives as promising meprin β inhibitorsSandeep Jana, Suvankar Banerjee, Sandip Kumar Baidya, et al.Journal of Biomolecular Structure & Dynamics|January 2, 2024
Exploration of comprehensive marine natural products database against dengue viral non-structural protein 1 using high-throughput computational studiesBasharat Ahmad Bhat, Abdullah Algaissi, Nizar A Khamjan, et al.Journal of Biomolecular Structure & Dynamics|January 2, 2024
Effective modeling of the chromatin structure by coarse-grained methodsIrina Tuszynska, Paweł Bednarz, Bartek WilczynskiJournal of Biomolecular Structure & Dynamics|December 22, 2023
Design, spectral characterization, quantum chemical investigation, biological activity of nano-sized transition metal complexes of tridentate 3-mercapto-4H-1,2,4-triazol-4-yl-aminomethylphenol Schiff base ligandWaleed M Alamier, Abdel-Nasser M A AlaghazJournal of Biomolecular Structure & Dynamics|December 20, 2023
Molecular dynamics, molecular docking, DFT, and ADMET investigations of the Co(II), Cu(II), and Zn(II) chelating on the antioxidant activity and SARS-CoV-2 main protease inhibition of quercetinEl Hassane AnouarJournal of Biomolecular Structure & Dynamics|December 20, 2023
Computational screening of coumarin derivatives as inhibitors of the NACHT domain of NLRP3 inflammasome for the treatment of Alzheimer's diseasePowsali Ghosh, Ravi Singh, Chayanika Chatterjee, et al.Journal of Biomolecular Structure & Dynamics|December 27, 2023
Network pharmacology, molecular docking and molecular dynamics simulation of chalcone scaffold-based compounds targeting breast cancer receptorsNoor Zafirah Ismail, Melati Khairuddean, Sadiq Abubakar, et al.Pageof 931