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Journal of Biomolecular Structure & Dynamics|February 14, 2024
Design of novel isoxazole derivatives as tubulin inhibitors using computer-aided techniques: QSAR modeling, in silico ADMETox, molecular docking, molecular dynamics, biological efficacy, and retrosynthesisYouness Moukhliss, Yassine Koubi, Imran Zafar, et al.
Journal of Biomolecular Structure & Dynamics|February 9, 2024
A discovery of potent kaempferol derivatives as multi-target medicines against diabetes as well as bacterial infections: an in silico approachShagufta Parveen, Saman Shehzadi, Nusrat Shafiq, et al.
Journal of Biomolecular Structure & Dynamics|February 9, 2024
Anti-diabetic drug discovery using the bioactive compounds of Momordica charantia by molecular docking and molecular dynamics analysisAbbas Alam Choudhury, Mohanapriya Arumugam, Nirmaladevi Ponnusamy, et al.
Journal of Biomolecular Structure & Dynamics|February 9, 2024
Computational investigations into structure and function impact of novel mutations identified in targeted exons from ovarian cancer cell linesRucha M Wadapurkar, Aruna Sivaram, Renu Vyas
Journal of Biomolecular Structure & Dynamics|February 9, 2024
Synthesis of 4-sulfamoyl phenyl diazocarboxylic acid derivatives as novel non-classical inhibitors of human carbonic anhydrase II activity: an in vitro studyNima Fatahian Bavandpour, Maryam Mehrabi, Hadi Adibi, et al.
Journal of Biomolecular Structure & Dynamics|March 1, 2024
Cracking a cancer code DNA methylation in epigenetic modification: an in-silico approach on efficacy assessment of Sri Lanka-oriented nutraceuticalsDushanan R, Weerasinghe S, Dissanayake D P, et al.
Journal of Biomolecular Structure & Dynamics|February 7, 2024
Computational study of the piperidine and FtsZ interaction in Salmonella Typhi: implications for disrupting cell division machineryHithesh Kumar, Anand Manoharan, Anand Anbarasu, et al.
Journal of Biomolecular Structure & Dynamics|February 8, 2024
3D-QSAR-based pharmacophore modelling of quinazoline derivatives for the identification of acetylcholinesterase inhibitors through virtual screening, molecular docking, molecular dynamics and DFT studiesVijay Kumar, Kailash Jangid, Naveen Kumar, et al.
Journal of Biomolecular Structure & Dynamics|February 7, 2024
Computational exploration of the genomic assignments, molecular structure, and dynamics of the ccdAB toxin-antitoxin homolog with its bacterial target, the DNA gyrase, in the entomopathogen Xenorhabdus nematophilaShobhi Chaudhary, Waseem Ali, Mohit Yadav, et al.
Journal of Biomolecular Structure & Dynamics|February 28, 2024
Efficiency of membrane fusion inhibitors on different hemagglutinin subtypes: insight from a molecular dynamics simulation perspectiveNadtanet Nunthaboot, Thitiya Boonma, Chananya Rajchakom, et al.
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