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Structural and dynamic properties of guanosine-analog binding to 2′-deoxyguanosine-II riboswitch: a computational study

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Journal of Biomolecular Structure and Dynamics, 43:17, 9654-9675, DOI: 10.1080/07391102.2025.2530092

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MD investigation on the differences in the dynamic interactions between the specific ligand azamulin and two CYP3A isoforms, 3A4 and 3A5

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Efficiency of membrane fusion inhibitors on different hemagglutinin subtypes: insight from a molecular dynamics simulation perspective

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Structural insights into the ATP-dependent activation of NOD-like receptor with pyrin 3 (NLRP3) protein by molecular dynamics simulation

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Structure-activity relationship of peptide conjugates derived from BP100 and insights into their interactions with lipid membranes by NMR and MD simulations

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To link to this article: https://doi.org/10.1080/07391102.2025.2458328