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Journal of Biomolecular Structure & Dynamics|October 14, 2023
Exploring natural compound, Panicutine as leucine-rich repeat kinase 2 inhibitor against Parkinson's disease: a structure-guided approachTaghreed A Majrashi, Shadma Wahab, Mohammad Ali Abdullah Almoyad, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2023
Silver nanoparticles formulation of Marrubium alysson L. phenolic extract potentiates cytotoxicity through apoptosis with molecular docking study as Bcl-2 inhibitorsNermeen A Eltahawy, Shady A Swidan, Mohamed S Nafie, et al.Journal of Biomolecular Structure & Dynamics|October 11, 2023
Chromone-isoxazole hybrids molecules: synthesis, spectroscopic, MEDT, ELF, antibacterial, ADME-Tox, molecular docking and MD simulation investigationsYoussra Kanzouai, Mustapha Laghmari, Imane Yamari, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2023
Drought and sorghum: a bibliometric analysis using VOS viewerWaqas Liaqat, Muhammad Tanveer Altaf, Celaleddin Barutçular, et al.Journal of Biomolecular Structure & Dynamics|October 14, 2023
Free energy landscape and thermodynamics properties of novel mutations in PncA of pyrazinamide resistance isolates of Mycobacterium tuberculosisMuhammad Tahir Khan, Elise Dumont, Aijaz Rasool Chaudhry, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2023
Identification of naturally occurring compounds as alternatives to radiation therapy for treatment of small cell lung cancerM Shivapriya Pingali, Anirudh Singh, Ananya Anurag Anand, et al.Journal of Biomolecular Structure & Dynamics|October 9, 2023
Identification of novel curcumin derivatives against pancreatic cancer: a comprehensive approach integrating 3D-QSAR pharmacophore modeling, virtual screening, and molecular dynamics simulationsNarimene Chahbaoui, Saida Khamouli, Marwa Alaqarbeh, et al.Journal of Biomolecular Structure & Dynamics|October 18, 2023
Machine learning-based model for accurate identification of druggable proteins using light extreme gradient boostingOmar Alghushairy, Farman Ali, Wajdi Alghamdi, et al.Journal of Biomolecular Structure & Dynamics|October 20, 2023
In silico computational drug discovery: a Monte Carlo approach for developing a novel JAK3 inhibitorsAbdelmoujoud Faris, Ivana Cacciatore, Ibrahim M Ibrahim, et al.Journal of Biomolecular Structure & Dynamics|October 18, 2023
In silico discovery of novel calcineurin inhibitors using ligand-based 3-D pharmacophore modelling and molecular dynamics simulationNivya R M, Amitha JoyPageof 935