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Journal of Biomolecular Structure & Dynamics|January 4, 2024
Combining QSAR techniques, molecular docking, and molecular dynamics simulations to explore anti-tumor inhibitors targeting Focal Adhesion KinaseYuan Liu, Jian-Bo Tong, Peng Gao, et al.Journal of Biomolecular Structure & Dynamics|January 5, 2024
Synergy between human DNA ligase I and topoisomerase 1 unveils new therapeutic strategy for the management of colorectal cancerPooja Maurya, Rohit Singh Rawat, Sampa Gupta, et al.Journal of Biomolecular Structure & Dynamics|December 28, 2023
Investigation of a set of flavonoid compounds as Helicobacter pylori urease inhibitors: insights from in silico studiesGolnoush Sadat Asadi, Rahman Abdizadeh, Tooba AbdizadehJournal of Biomolecular Structure & Dynamics|December 21, 2023
Evaluation of substrate specificity and catalytic promiscuity of Bacillus albus cellulase: an insight into in silico proteomic study aiming at enhanced production of renewable energyManish Paul, Amrita Banerjee, Smarajit Maiti, et al.Journal of Biomolecular Structure & Dynamics|December 20, 2023
Inhibition potential of natural flavonoids against selected omicron (B.1.19) mutations in the spike receptor binding domain of SARS-CoV-2: a molecular modeling approachAnuj Kumar, Mansi Dutt, Budheswar Dehury, et al.Journal of Biomolecular Structure & Dynamics|December 16, 2023
Identifying multi-target drugs for prostate cancer using machine learning-assisted transcriptomic analysisYibin Chang, Hongmei Zhou, Yuxiang Ren, et al.Journal of Biomolecular Structure & Dynamics|December 18, 2023
In silico identification and characterization of small molecule binding to the CD1d immunoreceptorPrashanth Rathakrishnan, Andrew C McShanJournal of Biomolecular Structure & Dynamics|December 13, 2023
Mimosa pudica Linn. extract improves aphrodisiac performance in diabetes-induced male Wister ratsChandrasekar Palanichamy, Damodar Nayak Ammunje, Parasuraman Pavadai, et al.Journal of Biomolecular Structure & Dynamics|December 13, 2023
Molecular docking and ADMET studies of halogenated metabolites from marine sponges as inhibitors of wild-type and mutants PBP2 in Neisseria gonorrhoeaeAbdullah R Alanzi, Mohammed F Alajmi, Moneerah J AlqahtaniJournal of Biomolecular Structure & Dynamics|December 14, 2023
Identification of new small molecule allosteric SHP2 inhibitor through pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation studies, synthesis and in vitro evaluationRangan Mitra, Sandeep Kumar, Senthil Raja AyyannanPageof 935