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Synergistic inhibition of glioblastoma multiforme through an in-silico analysis of luteolin and ferulic acid derived from Angelica sinensis and Cannabis sativa: Advancements in computational therapeutics
published 09 Nov 2023
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In Silico identification of novel phytochemicals that target SFRP4: An early biomarker of diabesity
published 09 Nov 2023
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Identification of natural antiviral drug candidates against Tilapia Lake Virus: Computational drug design approaches
published 08 Nov 2023
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Lupenone, a wonder chemical obtained from Euphorbia segetalis to boost affinity for the transcriptional factor escalating drought-tolerance in Solanum Lycopersicum: A cutting-edge computational biology approach
published 08 Nov 2023
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Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
published 01 Nov 2023
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Assessing radiation dosimetry for microorganisms in naturally radioactive mineral springs using GATE and Geant4-DNA Monte Carlo simulations
published 12 Oct 2023
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A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives
published 12 Oct 2023
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Investigation of the impact of nonsynonymous mutations on thyroid peroxidase dimer
published 12 Sep 2023
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Repurposing of approved drugs for targeting CDK4/6 and aromatase protein using molecular docking and molecular dynamics studies
published 08 Sep 2023
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Different aspects in explaining how mutations could affect the binding mechanism of receptor binding domain of SARS-CoV-2 spike protein in interaction with ACE2
published 08 Sep 2023
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Dissociation process of polyalanine aggregates by free electron laser irradiation
published 08 Sep 2023
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Probing the substrate binding modes and catalytic mechanisms of BLEG-1, a promiscuous B3 metallo-β-lactamase with glyoxalase II properties
published 06 Sep 2023
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Interaction of biomolecules with anatase, rutile and amorphous TiO2 surfaces: A molecular dynamics study
published 05 Sep 2023
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