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Elucidating the mechanism of substrate encapsulation in supramolecular resorcin[4]arene using enhanced sampling simulations.

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Title: Elucidating the mechanism of substrate encapsulation in supramolecular resorcin[4]arene using enhanced sampling simulations.
Authors: Tyagi T; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in., Anmol; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in., Karmakar T; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in.
Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2025 Aug 28; Vol. 27 (34), pp. 17846-17851. Date of Electronic Publication: 2025 Aug 28.
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Tyagi+T%22">Tyagi T</searchLink>; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in.<br /><searchLink fieldCode="AU" term="%22Anmol%22">Anmol</searchLink>; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in.<br /><searchLink fieldCode="AU" term="%22Karmakar+T%22">Karmakar T</searchLink>; Department of chemistry, Indian Institute of Technology, Delhi, Hauz Khas, New Delhi 110016, India. tkarmakar@chemistry.iitd.ac.in.
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  Data: <searchLink fieldCode="JN" term="%22100888160%22">Physical chemistry chemical physics : PCCP</searchLink> [Phys Chem Chem Phys] 2025 Aug 28; Vol. 27 (34), pp. 17846-17851. <i>Date of Electronic Publication: </i>2025 Aug 28.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Royal+Society+of+Chemistry%22">Royal Society of Chemistry </searchLink><i>Country of Publication: </i>England <i>NLM ID: </i>100888160 <i>Publication Model: </i>Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1463-9084 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2214639076%22">14639076 </searchLink><i>NLM ISO Abbreviation: </i>Phys Chem Chem Phys <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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      – Type: doi
        Value: 10.1039/d5cp02001h
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      – Code: eng
        Text: English
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        StartPage: 17846
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      – TitleFull: Elucidating the mechanism of substrate encapsulation in supramolecular resorcin[4]arene using enhanced sampling simulations.
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            NameFull: Tyagi T
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            – D: 28
              M: 08
              Text: 2025 Aug 28
              Type: published
              Y: 2025
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              Value: 27
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              Value: 34
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