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Computational investigation of antioxidant activities and mechanisms of catechol analogues through a DFT study.

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Title: Computational investigation of antioxidant activities and mechanisms of catechol analogues through a DFT study.
Authors: Tumilaar SG; Research Center for Computing, Research Organization for Electronics and Informatics, Cibinong Science Center, National Research and Innovation Agency (BRIN), Cibinong, 16911, Indonesia. sefren.geiner.tumilaar@brin.go.id., Mazaya M; Research Center for Computing, Research Organization for Electronics and Informatics, Cibinong Science Center, National Research and Innovation Agency (BRIN), Cibinong, 16911, Indonesia.; School of Applied Science, Center of Excellence for Human Centric Engineering, Telkom University, Jl. Telekomunikasi No. 1, Bandung, 40257, West Java, Indonesia.
Source: Journal of computer-aided molecular design [J Comput Aided Mol Des] 2026 Jun 30; Vol. 40 (1). Date of Electronic Publication: 2026 Jun 30.
Publication Type: Journal Article
Journal Info: Publisher: Springer Country of Publication: Netherlands NLM ID: 8710425 Publication Model: Electronic Cited Medium: Internet ISSN: 1573-4951 (Electronic) Linking ISSN: 0920654X NLM ISO Abbreviation: J Comput Aided Mol Des Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: <searchLink fieldCode="AU" term="%22Tumilaar+SG%22">Tumilaar SG</searchLink>; Research Center for Computing, Research Organization for Electronics and Informatics, Cibinong Science Center, National Research and Innovation Agency (BRIN), Cibinong, 16911, Indonesia. sefren.geiner.tumilaar@brin.go.id.<br /><searchLink fieldCode="AU" term="%22Mazaya+M%22">Mazaya M</searchLink>; Research Center for Computing, Research Organization for Electronics and Informatics, Cibinong Science Center, National Research and Innovation Agency (BRIN), Cibinong, 16911, Indonesia.; School of Applied Science, Center of Excellence for Human Centric Engineering, Telkom University, Jl. Telekomunikasi No. 1, Bandung, 40257, West Java, Indonesia.
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  Data: <searchLink fieldCode="JN" term="%228710425%22">Journal of computer-aided molecular design</searchLink> [J Comput Aided Mol Des] 2026 Jun 30; Vol. 40 (1). <i>Date of Electronic Publication: </i>2026 Jun 30.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer%22">Springer </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>8710425 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-4951 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%220920654X%22">0920654X </searchLink><i>NLM ISO Abbreviation: </i>J Comput Aided Mol Des <i>Subsets: </i>MEDLINE
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        Value: 10.1007/s10822-026-00882-7
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      – Code: eng
        Text: English
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      – TitleFull: Computational investigation of antioxidant activities and mechanisms of catechol analogues through a DFT study.
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            NameFull: Tumilaar SG
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              Text: 2026 Jun 30
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              Y: 2026
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