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Journal of Biomolecular Structure & Dynamics|March 21, 2015
Molecular dynamics simulations on the interaction of the transmembrane NavAb channel with cholesterol and lipids in the membraneChonticha Suwattanasophon, Peter Wolschann, Roland FallerJournal of Biomolecular Structure & Dynamics|April 23, 2023
Identification of starvation-mimetic bioactive phytocomponent from Withania somnifera using in-silico molecular modelling and flow cytometry-based analysis for the management of malariaDeepak Pradhan, Prativa Biswasroy, Sharvari Kulkarni, et al.Journal of Biomolecular Structure & Dynamics|April 25, 2023
Insights from the molecular mechanism of pyrazinamide to mutated pyrazinamidase linked to the pncA gene in clinical isolates of Mycobacterium tuberculosisDian Ayu Eka Pitaloka, Arfan Arfan, Dwi Syah Fitra Ramadhan, et al.Journal of Biomolecular Structure & Dynamics|April 25, 2023
Exploration of molecular interactions between scoparone and associated compounds with Constitutive androstane receptor (CAR) leading to gallstone prevention: an in silico investigationBhavna Sharma, Bhavya Sethi, Shashank Raj, et al.Journal of Biomolecular Structure & Dynamics|April 25, 2023
SPP1, a potential therapeutic target and biomarker for lung cancer: functional insights through computational studiesYamuna Annadurai, Murugesh Easwaran, Shobana Sundar, et al.Journal of Biomolecular Structure & Dynamics|April 25, 2023
Targeting the Pseudomonas aeruginosa quorum sensing system to inhibit virulence factors and eradicate biofilm formation using AHL-analogue phytochemicalsRajesh P Shastry, Chandran S AbhinandJournal of Biomolecular Structure & Dynamics|April 25, 2023
(2-Cyclohexyl-1-methylpropyl) cyclohexane isolated from garlic extract exhibits antidepressant-like activity: extraction, docking, drug-like properties, molecular dynamics simulations and MM/GBSA studies, Priyanka Kumari, Bechan Sharma, et al.Journal of Biomolecular Structure & Dynamics|May 4, 2023
Impact of nsSNPs in human AIM2 and IFI16 gene: a comprehensive in silico analysisSthitaprajna Sahoo, Seungwoo Son, Hak-Kyo Lee, et al.Journal of Biomolecular Structure & Dynamics|May 4, 2023
Preparation and evaluation in vitro release of sodium alginate/chitosan polyelectrolyte microparticles containing rifampicin and theoretical study using DFT methodsNadia A Hussein Al-Assady, Hussain A Badran, Sarah A Kamil, et al.Journal of Biomolecular Structure & Dynamics|May 2, 2023
In silico designing a novel TLR4-mediating multiepitope vaccine against monkeypox via advanced immunoinformatics and bioinformatics approachesMohammad Reza Lahimchi, Hamid Madanchi, Khadijeh Ahmadi, et al.Pageof 931