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Antiurease Activity of Antibiotics: In Vitro, In Silico, Structure Activity Relationship, and MD Simulations of Cephalosporins and Fluoroquinolones
ACS Omega,
2024
DOI:10.1021/acsomega.3c09355
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[2]
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DFT Study of (1R,2R,4R)-Limonene-1,2-Diol Synthesized by Hydrolysis of cis and trans Limonene Oxide
Journal of Structural Chemistry,
2024
DOI:10.1134/S0022476624050019
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[3]
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Isolation, structural elucidation, and cytotoxic activity investigation of novel styryl-lactone derivatives from Goniothalamus elegans: in vitro and in silico studies
RSC Advances,
2023
DOI:10.1039/D3RA02646A
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Graphene Oxide Hosting a pH-Sensitive Prodrug: An In Silico Investigation of Graphene Oxide-Based Nanovehicle toward Cancer Therapy
ACS Applied Bio Materials,
2023
DOI:10.1021/acsabm.3c00276
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[5]
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A multiscale framework for composites considering interphase based on molecular dynamics and finite element method
Advanced Composite Materials,
2023
DOI:10.1080/09243046.2022.2122237
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Theoretical study of the interfacial properties of carbon nanotube/epoxy resin nanocomposites
Japanese Journal of Applied Physics,
2022
DOI:10.35848/1347-4065/ac5d24
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A multiscale framework for composites considering interphase based on molecular dynamics and finite element method
Advanced Composite Materials,
2022
DOI:10.1080/09243046.2022.2122237
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[8]
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Chemical reactivity of morpholine with cis and trans-(+)-4R limonene oxide using density functional theory (DFT)
Journal of the Indian Chemical Society,
2022
DOI:10.1016/j.jics.2022.100689
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[9]
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Electronic and Optical Properties of Polythiophene Molecules and Derivatives
Crystals,
2021
DOI:10.3390/cryst11111292
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[10]
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Electronic and Optical Properties of Polythiophene Molecules and Derivatives
Crystals,
2021
DOI:10.3390/cryst11111292
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[11]
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Tensile test analysis of carbon fiber composite material by molecular dynamics simulation
Advanced Composite Materials,
2020
DOI:10.1080/09243046.2019.1669003
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[12]
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Tensile test analysis of carbon fiber composite material by molecular dynamics simulation
Advanced Composite Materials,
2020
DOI:10.1080/09243046.2019.1669003
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[13]
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Tensile test analysis of carbon fiber composite material by molecular dynamics simulation
Advanced Composite Materials,
2019
DOI:10.1080/09243046.2019.1669003
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[14]
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Molecular Dynamics Simulations of the Structure and the Analyses of Detachment Force at the Interface between Graphene and Epoxy Resin
Seikei-Kakou,
2018
DOI:10.4325/seikeikakou.30.251
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