Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[<i>n</i>]uril of Different Sizes-Reference-Cited by-同舟云学术

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Theoretical Analysis of the Role of Water in Ligand Binding to Cucurbit[n]uril of Different Sizes

Published:2023-04-18 Issue:16 Volume:127 Page:3651-3662
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chiangraeng Natthiti¹²^ORCID,Nakano Haruyuki¹^ORCID,Nimmanpipug Piyarat²^ORCID,Yoshida Norio³^ORCID

Affiliation:

1. Department of Chemistry, Graduate School of Science, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan

2. Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200, Thailand

3. Department of Complex Systems Science, Graduate School of Informatics, Nagoya University, Chikusa-ku, Nagoya 464-8601, Japan

Funder

Chiang Mai University

Japan Society for the Promotion of Science

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.3c00343

Reference72 articles.

1. The Cucurbit[n]uril Family

2. Cucurbituril-Based Molecular Recognition

3. Role of Solvation in Drug Design as Revealed by the Statistical Mechanics Integral Equation Theory of Liquids

4. Theoretical study on the interaction of flutamide anticancer drug with cucurbit[n]uril (n = 5–8) as a drug delivery system

5. Pillararene-based supramolecular polymers: from molecular recognition to polymeric aggregates

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1. Selective molecular recognition of amino acids and their derivatives by cucurbiturils in aqueous solution: An MD/3D-RISM study;Journal of Molecular Liquids;2023-09

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