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Journal of Biomolecular Structure & Dynamics|December 18, 2023
Identification of potential inhibitors targeting yellow fever virus helicase through ligand and structure-based computational studiesSumera Zaib, Nehal Rana, Hafiz Saqib Ali, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2023
Decoding the therapeutic landscape of alpha-linolenic acid: a network pharmacology and bioinformatics investigation against cancer-related epigenetic modifiersAmrita Ulhe, Nidhi Sharma, Akanksha Mahajan, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2023
Virtual screening and identification of promising therapeutic compounds against drug-resistant Mycobacterium tuberculosis β-ketoacyl-acyl carrier protein synthase I (KasA)Alexander M Andrianov, Konstantin V Furs, Anna V Gonchar, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2023
In silico design of a trivalent multi-epitope global-coverage vaccine-candidate protein against influenza viruses: evaluation by molecular dynamics and immune system simulationAlireza Jalalvand, Fatemeh Fotouhi, Golnaz Bahramali, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2023
Computational assessment and in vitro test of phytochemicals of Usnea aciculifera as potential inhibitors of Escherichia coli efflux pump AcrBThien-Vy Phan, Lam-Truong Tuong, Vu-Thuy-Vy Nguyen, et al.Journal of Biomolecular Structure & Dynamics|March 25, 2024
Phytotherapeutic potential of compounds identified from fractionated extracts of Morus alba L., as an inhibitor of interleukin-6 in the treatment of rheumatoid arthritis: computational approachTran Nhat Phong Dao, Sunday Amos Onikanni, Adewale Oluwaseun Fadaka, et al.Journal of Biomolecular Structure & Dynamics|March 26, 2024
Mutations influence the conformational dynamics of the GDP/KRAS complexCongcong Shen, Jie Yin, Min Wang, et al.Journal of Biomolecular Structure & Dynamics|March 18, 2024
Unveiling therapeutic prospects: targeting MDM-2 in non-muscle invasive bladder cancerHongjian Wu, Hui Jin, Yongjian CaiJournal of Biomolecular Structure & Dynamics|March 18, 2024
Molecular insights into inhibiting effects of lignin on cellulase investigated by molecular dynamics simulationZhenjuan Chen, Qingwen Shi, Tengfei Zhao, et al.Journal of Biomolecular Structure & Dynamics|March 18, 2024
An ensemble computational model for prediction of clathrin protein by coupling machine learning with discrete cosine transformMajdi Khalid, Farman Ali, Wajdi Alghamdi, et al.Pageof 931