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Genomic and structural analysis of the endocannabinoid system in Moroccans: A novel CNR1 variant (V392A) impairs CB1 receptor stability
published 30 Apr 2026
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In search of novel PD1 inhibitor from natural products by high-throughput virtual screening and molecular dynamics simulation
published 22 Apr 2026
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Computational investigation of African natural products as Helicobacter pylori shikimate kinase inhibitors
published 20 Apr 2026
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Identification of neuronatin as a SERCA2b regulin-like protein and assessment of its aggregation propensity via coarse grained simulations
published 09 Apr 2026
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Computational and immunoinformatics approaches for designing phytocompound-based drugs and a multi-epitope vaccine targeting FemA, a cell wall protein of Staphylococcus aureus
published 07 Apr 2026
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Antimicrobial and antibiofilm evaluation of thymol, sodium azide, and sodium lauryl sulfate against multidrug-resistant pathogens: An integrated experimental and computational study
published 07 Apr 2026
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Elucidating the binding mechanism of Caralluma tuberculata metabolites with type 2 diabetes targets through molecular docking and dynamics simulations
published 03 Apr 2026
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Benchmarking free energy calculations: Analysis of single and double mutations across two simulation software platforms for two protein systems
published 03 Apr 2026
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Computational prediction of binding affinity and structural impact of three Pakistani SARS-CoV-2 spike RBD variants on human ACE2 interaction
published 01 Apr 2026
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Predicted antiviral potential of phytochemicals prolific in Cleistanthus bracteosus Jabl. and essential oils of Artemisia scoparia and Thuja orientalis against Nipah virus and Human metapneumovirus: An AI-driven in-silico study
published 31 Mar 2026
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Unraveling the toxicological impact of Bisphenol A exposure on dermatomyositis: An integration of network toxicology and machine learning approaches
published 30 Mar 2026
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Identification of polyphenols as novel neuropilin-1 cendR pocket inhibitors to block SARS-CoV-2 entry and enhance variant resistance
published 23 Mar 2026
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Multitarget docking and molecular enumeration reveal DdpMPyPEPhU as a potent modulator of cell cycle, glucocorticoid, and estrogen signalling in breast cancer
published 23 Mar 2026
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