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Elucidating the impact of S-adenosylmethionine and histamine binding on N-methyltransferase conformational dynamics: Insights from an in silico study
Journal of Molecular Graphics and Modelling,
2025
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Synthesis, cytotoxic, antibacterial, antioxidant activities, DFT, and docking of novel complexes of Palladium (II) containing a thiourea derivative and diphosphines
Journal of Molecular Structure,
2024
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Experimental and DFT perspectives: exploring spectral, linear and nonlinear optical properties of p-nitrophenol complex crystal for NLO applications
Journal of Materials Science: Materials in Electronics,
2024
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Comprehensive analysis of ferroelectric, piezoelectric, mechanical, and nonlinear optical properties of imidazolium d-camphorsulfonate single crystals
Materials Chemistry and Physics,
2024
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Theoretical Investigations of Bioactive Substituted 2‐Amino‐3,5‐dicarbonitrile‐6‐thiopyridine Derivatives
ChemistrySelect,
2024
DOI:10.1002/slct.202404413
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Theoretical Investigations of 2H‐Iminopyran Derivatives: A Computational Chemistry Approach
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2024
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Theoretical–Experimental Study of the Action of Trace Amounts of Formaldehyde, Propionaldehyde, and Butyraldehyde as Inhibitors of the Ziegler–Natta Catalyst and the Synthesis of an Ethylene–Propylene Copolymer
Polymers,
2023
DOI:10.3390/polym15051098
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Novel Rigidochromic and Anti-Kasha Dual Emission Fluorophores Based on D-π-A Dyads as the Promising Materials for Potential Applications Ranging from Optoelectronics and Optical Sensing to Biophotonics and Medicine
International Journal of Molecular Sciences,
2023
DOI:10.3390/ijms24065818
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Tough, Recyclable, and Degradable Elastomers for Potential Biomedical Applications
Advanced Materials,
2023
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Mechanistic Insights into Roseoflavin Synthesis by N,N-8-Demethyl-8-aminoriboflavin Dimethyltransferase (RosA): Molecular Dynamics Simulations and Residue Conservation Analysis
Journal of Chemical Information and Modeling,
2023
DOI:10.1021/acs.jcim.3c00655
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Investigation into the Prevention of Environmental Degradation of Mild Steel in a 1M HCl Solution Using Extracts Derived from Pelargonium graveolens
Journal of Bio- and Tribo-Corrosion,
2023
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New Quinoid Bio-Inspired Materials Using Para-Azaquinodimethane Moiety
Molecules,
2023
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Unravelling the effects of complexation of transition metal ions on the hydroxylation of catechol over the whole pH region
Journal of Environmental Sciences,
2022
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Metal–ligand complexation and clustering in mussel-inspired side-chain functionalized supramolecular hydrogels
Soft Matter,
2022
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Interactions in Composite Film Formation of Mefp-1/graphene on Carbon Steel
Coatings,
2021
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Interactions in Composite Film Formation of Mefp-1/graphene on Carbon Steel
Coatings,
2021
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Science and Technology Innovation for a Sustainable Economy
2020
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Ironing out pyoverdine’s chromophore structure: serendipity or design?
JBIC Journal of Biological Inorganic Chemistry,
2019
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Different Strategies of Stabilization of Vanadium Oxidation States in Lagao3 Nanocrystals
Frontiers in Chemistry,
2019
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