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Journal of Biomolecular Structure & Dynamics|June 2, 2022
Structure-guided pharmacophore based virtual screening, docking, and molecular dynamics to discover repurposed drugs as novel inhibitors against endoribonuclease Nsp15 of SARS-CoV-2Prakash Jha, Daman Saluja, Madhu ChopraJournal of Biomolecular Structure & Dynamics|June 6, 2022
Structural aspects of triazole derivatives as HSP90 inhibitors for the treatment of cancer: in silico studiesShubham Dhiman, Moumita Saha, Amena Ali, et al.Journal of Biomolecular Structure & Dynamics|December 1, 2022
Can de-phosphorylation of serine-5 in the C-terminal domain of human polymerase II affect its interaction with the PA C-terminal domain of bat Flu A polymerase?Ahmed Samir, Wael Elshemey, Abdo ElfikyJournal of Biomolecular Structure & Dynamics|December 1, 2022
Synergistic effect of conformational changes in phosphoglycerate kinase 1 product releaseYe Liu, Yan Li, Sijin Wu, et al.Journal of Biomolecular Structure & Dynamics|December 5, 2022
Identification of new potent agonists for toll-like receptor 8 by virtual screening methods, molecular dynamics simulation, and MM-GBSAFarideh Sadeghkhani, Zahra Hajihassan, Sajjad GharaghaniJournal of Biomolecular Structure & Dynamics|December 5, 2022
High-throughput virtual screening approach of natural compounds as target inhibitors of plasmepsin-IIFatima En-Nahli, Soukayna Baammi, Halima Hajji, et al.Journal of Biomolecular Structure & Dynamics|December 5, 2022
Effect of red and near-infrared irradiation on periodontal ligament stem cells: ROS generation and cell cycle analysisLeila Gholami, Khatereh Khorsandi, Reza FekrazadJournal of Biomolecular Structure & Dynamics|December 6, 2022
Development of pharmacophore model to identify potential DNA gyrase inhibitorsRitu Jakhar, Alka Khichi, Dev Kumar, et al.Journal of Biomolecular Structure & Dynamics|July 1, 2022
Computational investigation of phytochemicals from Abrus precatorius seeds as modulators of peroxisome proliferator-activated receptor gamma (PPARγ)Damilola A Omoboyowa, Gagandeep Singh, John O Fatoki, et al.Journal of Biomolecular Structure & Dynamics|November 29, 2022
Computer-aided analysis for identification of novel analogues of ketoprofen based on molecular docking, ADMET, drug-likeness and DFT studies for the treatment of inflammationFatima Zohra Yasmine Bettadj, Wafaa BenchoukPageof 932