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Journal of Biomolecular Structure & Dynamics|November 8, 2023
Exploring the potential of machine learning to design antidiabetic molecules: a comprehensive study with experimental validationVinod Devaraji, Jayanthi SivaramanJournal of Biomolecular Structure & Dynamics|October 30, 2023
Integrated analysis of single-cell transcriptome and structural biology approach reveals the dynamics changes of NP subtypes and roles of Menaquinone in attenuating intervertebral disc degenerationYingjing Zhao, Yuxue Mu, Yujia Zou, et al.Journal of Biomolecular Structure & Dynamics|September 11, 2023
In silico design and identification of new peptides for mitigating hIAPP aggregation in type 2 diabetesApneet Kaur, Bhupesh GoyalJournal of Biomolecular Structure & Dynamics|September 12, 2023
Molecular insights of anticancer potential of usnic acid towards cervical cancer target proteins: An in silico validation for novel anti-cancer compound from lichensBalasubramanian Murugesan, Anandhi Subramanian, Subha Bakthavachalam, et al.Journal of Biomolecular Structure & Dynamics|September 11, 2023
Embelin targets PI3K/AKT and MAPK in age-related ulcerative colitis: an integrated approach of microarray analysis, network pharmacology, molecular docking, and molecular dynamicsPrashanth S Javali, Kavitha ThirumuruganJournal of Biomolecular Structure & Dynamics|September 7, 2023
Synthesis, anticancer activity and molecular modeling study of novel substituted triazole linked tetrafluoronaphthalene hybrid derivativesMusa Erdoğan, Ferah Comert OnderJournal of Biomolecular Structure & Dynamics|September 5, 2023
In-silico prediction, characterization, molecular docking and dynamic simulation studies for screening potential fungicides against leaf rust of Triticum aestivumGokul Gosavi, Dhananjay Jade, Sreenivasan Ponnambalam, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2023
In silico screening-based discovery of benzamide derivatives as inhibitors of Rho-associated kinase-1 (ROCK1)Qi-Xuan Xu, Liang Guo, Yuan Li, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2023
Insight into novel inhibitors from Sterculia urens against Cholera via pharmacoinformatics and molecular dynamics simulation approachesM Oliur Rahman, Sheikh Sunzid Ahmed, Ali S Alqahtani, et al.Journal of Biomolecular Structure & Dynamics|September 5, 2023
Potential suppression of multidrug-resistance-associated protein 1 by coumarin derivatives: an insight from molecular docking and MD simulation studiesParisa Shahpouri, Havva Mehralitabar, Mitra Kheirabadi, et al.Pageof 932