Separating Enthalpic, Configurational, and Solvation Entropic Components in Host–Guest Binding: Application to Cucurbit[7]uril Complexes through a Full In Silico Approach via Water Nanodroplets-Reference-Cited by-同舟云学术

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Separating Enthalpic, Configurational, and Solvation Entropic Components in Host–Guest Binding: Application to Cucurbit[7]uril Complexes through a Full In Silico Approach via Water Nanodroplets

Published:2020-11-09 Issue:46 Volume:124 Page:10486-10499
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Fianchini Mauro¹^ORCID,Llorens Lluis¹²,Pericàs Miquel A.¹²^ORCID

Affiliation:

1. Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Avgda Països Catalans, 16, 43007 Tarragona, Catalonia, Spain

2. Departament de Química Inorgànica i Orgànica, Universitat de Barcelona (UB), 08028 Barcelona, Catalonia, Spain

Funder

Ministerio de Econom?a y Competitividad

CERCA Programme and DEC/Generalitat de Catalunya

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.0c08507

Reference86 articles.

1. Supramolecular Chemistry

2. From Non-Covalent Assemblies to Molecular Machines

3. Molecular Switches

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Modulation of the intermolecular interactions of cucurbit[7]uril with phenylalanine derivatives by the functional groups;Bulletin of the Chemical Society of Japan;2024-07

2. Hydrophobically driven hosting – What about the guest?;Journal of Molecular Liquids;2023-10

3. Cyclopentadiene dimerization in cucurbiturils: Origin of catalysis, dynamics and solvent effect;Journal of Molecular Liquids;2023-08

4. Self-assembled cyclodextrins-based nanostructures on indium-tin-oxide for a detection of catecholamine neurotransmitters;Applied Surface Science;2022-10

5. CB[7]- and CB[8]-Based [2]-(Pseudo)rotaxanes with Triphenylphosphonium-Capped Threads: Serendipitous Discovery of a New High-Affinity Binding Motif;Organic Letters;2022-05-06

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