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Journal of Biomolecular Structure & Dynamics|December 4, 2023
Network pharmacology and molecular docking to study the potential molecular mechanism of Qi Fu Yin for diabetic encephalopathyXiaodi Guo, Feiyan Wang, Meiling Zheng, et al.Journal of Biomolecular Structure & Dynamics|December 1, 2023
Unveiling the anticancer mechanism of 1,2,3-triazole-incorporated thiazole-pyrimidine-isoxazoles: insights from docking and molecular dynamics simulationsReddymasu Sireesha, Y Pavani, Bala Divya Mallavarapu, et al.Journal of Biomolecular Structure & Dynamics|November 22, 2023
In silico exploration and in vitro validation of the filarial thioredoxin reductase inhibitory activity of Scytonemin and its derivativesAnimesh Sen, Varun Dewaker, Utsab Debnath, et al.Journal of Biomolecular Structure & Dynamics|November 22, 2023
Network pharmacology, molecular docking-driven, Qbd-Engineered antifungal in-situ gel loaded with voriconazole nanostructured lipid carriersAbhishek Tiwari, Varsha Tiwari, Binita Palaria, et al.Journal of Biomolecular Structure & Dynamics|January 18, 2024
Developing of SARS-CoV-2 fusion protein expressed in E. coli Shuffle T7 for enhanced ELISA detection sensitivity - an integrated experimental and bioinformatic approachSohrab Sam, Hamideh Ofoghi, Behrokh FarahmandJournal of Biomolecular Structure & Dynamics|January 22, 2024
Identification of novel inhibitor phytoconstituents for Influenza A H3N2: an in silico approachRajan Rolta, Deeksha Salaria, Olatomide A Fadare, et al.Journal of Biomolecular Structure & Dynamics|December 8, 2023
Identification of promising inhibitors against breast cancer disease by targeting NUDIX hydrolase 5 (NUDT5) biomoleculeNahlah Makki AlmansourJournal of Biomolecular Structure & Dynamics|December 8, 2023
Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamicsRaghu Rangaswamy, Nagarajan Hemavathy, Sneha Subramaniyan, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2023
Crystallographic mining driven computer-guided approach to identify the ASK1 inhibitor likely to perturb the catalytic regionMohamad Haider, Shilpa Sharma, Ashish Kumar Agrahari, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2023
Network pharmacology and bioinformatics based investigation of Phyllanthus fraternus: herb-drug interaction studyJoyeeta Das, Ravi Adinarayan Somabattini, Nikita Chhabra, et al.Pageof 935