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Journal of Biomolecular Structure & Dynamics|August 31, 2021
Discovery of potential inhibitors for stat3: ligand based 3D pharmacophore, virtual screening, molecular docking, dynamic studies and in vitro evaluationKaviarasan Lakshmanan, Praveen T K, Sreedhara Ranganath K Pai, et al.Journal of Biomolecular Structure & Dynamics|September 14, 2021
Drug repositioning against COVID-19: a first line treatmentNousheen Bibi, Ayesha Farid, Sana Gul, et al.Journal of Biomolecular Structure & Dynamics|September 9, 2021
Molecular docking, 3D-QASR and molecular dynamics simulations of thiazoles Pin1 inhibitorsJiangheng Zhao, Min Liu, Jieying Zang, et al.Journal of Biomolecular Structure & Dynamics|August 23, 2025
Computational insights into PKCθ non-synonymous SNPs: from structural changes to functional implicationsAmna Hafeez, Andleeb Farooq, Maria Shabbir, et al.Journal of Biomolecular Structure & Dynamics|October 22, 2019
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitchKalyanashis Jana, Padmaja D Wakchaure, Shibaji Ghosh, et al.Journal of Biomolecular Structure & Dynamics|October 24, 2019
In vitro and in silico studies of nitrobenzamide derivatives as potential anti-neuroinflammatory agentsSeda Savranoglu Kulabas, Ferah Comert Onder, Yakup Berkay Yılmaz, et al.Journal of Biomolecular Structure & Dynamics|June 9, 2015
DNA interaction of europium(III) complex containing 2,2'-bipyridine and its antimicrobial activityShohreh Jahani, Mozhgan Khorasani-Motlagh, Meissam NoroozifarJournal of Biomolecular Structure & Dynamics|June 13, 2015
Investigation of ligand selectivity in CYP3A7 by molecular dynamics simulationsJing-Rong Fan, Qing-Chuan Zheng, Ying-Lu Cui, et al.Journal of Biomolecular Structure & Dynamics|June 13, 2015
Binding of the alkaloid aristololactam-β-D-glucoside and daunomycin to human hemoglobin: spectroscopy and calorimetry studiesAbhi Das, Gopinatha Suresh KumarJournal of Biomolecular Structure & Dynamics|July 22, 2015
Zinc finger protein binding to DNA: an energy perspective using molecular dynamics simulation and free energy calculations on mutants of both zinc finger domains and their specific DNA basesMazen Y Hamed, Gaurav AryaPageof 930