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Journal of Biomolecular Structure & Dynamics|December 11, 2024
Assessment of binding affinity of major bioactive compounds from Momordica charantia, Azadirachta indica, Nelumbo nucifera, Caesalpinia crista, Martynia annua and Erythrina variegate to COX-2 receptor: an in silico studySaeideh Hoseinpoor, Zaheer Ul-Haq, Aristidis Tsatsakis, et al.Journal of Biomolecular Structure & Dynamics|December 9, 2024
Unraveling the potential of Epicatechin gallate from crataegus oxyacantha in targeting aberrant cardiac Ca2+ signalling proteins: an in-depth in-silico investigation for heart failure therapyJ Praveen, M Anusuyadevi, K S JayachandraJournal of Biomolecular Structure & Dynamics|November 22, 2024
Probing the hybridized triazole-chalcones: an in-depth investigations of molecular structure journey towards antibacterial potential against DNA gyraseKeshav Kumar Harish, Vinuta Kamat, Omantheswara Nagaraja, et al.Journal of Biomolecular Structure & Dynamics|November 19, 2024
Multistep structure-based virtual screening approach toward the identification of potential potent SARS-CoV-2 Mpro inhibitorsTaghreed A Majrashi, Mahmoud A El Hassab, Mohammed K Abdel-Hamid Amin, et al.Journal of Biomolecular Structure & Dynamics|November 22, 2024
Physicochemical, medicinal chemistry, and ADMET characteristics of bee antimicrobial peptides as natural bio-preservatives to extend food shelf life: a roadmap for food safety regulationRoy Dinata, Chettri Arati, Ahmed-Laskar Saeed, et al.Journal of Biomolecular Structure & Dynamics|November 23, 2024
A dual-action strategy of propenyl guaethol: pilY-mediated biofilm inhibition and augmenting aminoglycoside antibiofilm activity against Pseudomonas aeruginosa through in vitro and in silico studiesNamita Srivastava, Smriti Deka, Lokender KumarJournal of Biomolecular Structure & Dynamics|November 26, 2024
Identifying potential inhibitors against galectin-3-binding protein (LGALS3BP) for therapeutic targeting of gliomaKirti Chauhan, Viswanathan Vijayan, Pradeep Pant, et al.Journal of Biomolecular Structure & Dynamics|November 26, 2024
Explicit water-ligand docking, drug-likeness and molecular dynamics simulation analysis to predict the potency of Boerhavia diffusa plant extract against mutant wilms tumor-1 protein responsible for type 4 nephrotic syndromeSibani Sahu, Maheswata Moharana, Anuradha Das, et al.Journal of Biomolecular Structure & Dynamics|November 18, 2024
Hydrophobic forces at play: insights into AmelOBP4 and brood volatile interactions in Apis mellifera hygienic behaviorRamkumar Haran, Chakkarai Sathyaseelan, Ettiappan Sumathi, et al.Journal of Biomolecular Structure & Dynamics|November 18, 2024
In silico studies for improving target selectivity of anti-malarial dual falcipain inhibitors vis-à-vis human cathepsinsJeevan Patra, Smriti Arora, Utsab Debnath, et al.Pageof 931