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. |
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| 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 |
| ISSN: | 1463-9084 |
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| DOI: | 10.1039/d5cp02001h |
