ReviewInternational journal of molecular sciences2021
Application of Molecular Dynamics Simulations in the Analysis of Cyclodextrin Complexes.
Review in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 32 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
32 citing papers in PubMed.
- Article
- Development of 3-decen-2-one/HP-β-CD Inclusion Complex with Enhanced Stability and Its Application for Potato Postharvest Preservation.Foods (Basel, Switzerland) · 2026Article
- Cyclodextrins: Synthesis, Pharmaceutical Applications, Drug Delivery Systems and Safety Perspectives.AAPS PharmSciTech · 2026Review
- Structurally Modified Cyclodextrins in Topical Nanotechnology: Advancing Barrier-Penetrating Drug Delivery Strategies for Psoriasis Management.AAPS PharmSciTech · 2026Review
- Conformational landscape of β-cyclodextrin: a computational resource for host-guest modeling in supramolecular systems.Journal of computer-aided molecular design · 2025Article
- Complexes of Fat-Soluble Vitamins with Cyclodextrins.International journal of molecular sciences · 2025Review
- Development of a Cyclodextrin-Based Drug Delivery System to Improve the Physicochemical Properties of Ceftobiprole as a Model Antibiotic.International journal of molecular sciences · 2025Article
- A Molecular Dynamics Study of the Solvation Properties of Sugars in Supercritical Carbon Dioxide.Molecules (Basel, Switzerland) · 2025Article
- Approaches for Inclusion Complexes of Ezetimibe with Cyclodextrins: Strategies for Solubility Enhancement and Interaction Analysis via Molecular Docking.International journal of molecular sciences · 2025Article
- Encapsulation of menthol by cyclodextrins-comparison between experiments and molecular simulations.Current research in food science · 2025Article
- Cyclodextrins: Establishing building blocks for AI-driven drug design by determining affinity constantsComputational and structural biotechnology journal · 2024Article
- Review of Applications of β-Cyclodextrin as a Chiral Selector for Effective Enantioseparation.International journal of molecular sciences · 2024Review
- Interactions of a Novel Anthracycline with Oligonucleotide DNA and Cyclodextrins in an Aqueous Environment.The journal of physical chemistry. B · 2024Article
- A Review of Machine Learning and QSAR/QSPR Predictions for Complexes of Organic Molecules with Cyclodextrins.Molecules (Basel, Switzerland) · 2024Review
- Unveiling the dynamic and thermodynamic interactions of hydrocortisone with β-cyclodextrin and its methylated derivatives through insights from molecular dynamics simulations.Scientific reports · 2024Article
- Network pharmacology and molecular docking: combined computational approaches to explore the antihypertensive potential of Fabaceae species.Bioresources and bioprocessing · 2024Article
- Update on chiral recognition mechanisms in separation science.Journal of separation science · 2024Review
- Advantages of Induced Circular Dichroism Spectroscopy for Qualitative and Quantitative Analysis of Solution-Phase Cyclodextrin Host-Guest Complexes.International journal of molecular sciences · 2023Article
- Investigation of the Affinity of Ceftobiprole for Selected Cyclodextrins Using Molecular Dynamics Simulations and HPLC.International journal of molecular sciences · 2023Article
- Reversible Light-Induced Dimerization of Secondary Face Azobenzene-Functionalized β-Cyclodextrin Derivatives.The Journal of organic chemistry · 2023Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Cyclodextrins (CDs) are highly respected for their ability to form inclusion complexes via host-guest noncovalent interactions and, thus, ensofance other molecular properties. Various molecular modeling methods have found their applications in the analysis of those complexes. However, as showed in this review, molecular dynamics (MD) simulations could provide the information unobtainable by any other means. It is therefore not surprising that published works on MD simulations used in this field have rapidly increased since the early 2010s. This review provides an overview of the successful applications of MD simulations in the studies on CD complexes. Information that is crucial for MD simulations, such as application of force fields, the length of the simulation, or solvent treatment method, are thoroughly discussed. Therefore, this work can serve as a guide to properly set up such calculations and analyze their results.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.