A molecular dynamics study of conformations of beta-cyclodextrin and its eight derivatives in four different solvents
出版年份 2017 全文链接
标题
A molecular dynamics study of conformations of beta-cyclodextrin and its eight derivatives in four different solvents
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 19, Issue 35, Pages 24219-24229
出版商
Royal Society of Chemistry (RSC)
发表日期
2017-08-14
DOI
10.1039/c7cp04009a
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Alpha-tocopherol inhibits pore formation in oxidized bilayers
- (2017) Phansiri Boonnoy et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Cyclodextrins in pharmaceutical formulations I: structure and physicochemical properties, formation of complexes, and types of complex
- (2016) Sunil S. Jambhekar et al. DRUG DISCOVERY TODAY
- Inclusion complexation of pinostrobin with various cyclodextrin derivatives
- (2016) Jintawee Kicuntod et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Computational study of inclusion complex formation between carvacrol and β-cyclodextrin in vacuum and in water: Charge transfer, electronic transitions and NBO analysis
- (2016) Lahcene Abdelmalek et al. JOURNAL OF MOLECULAR LIQUIDS
- Characterization of the Free State Ensemble of the CoRNR Box Motif by Molecular Dynamics Simulations
- (2016) Elio A. Cino et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The Potential of Cyclodextrins as Novel Active Pharmaceutical Ingredients: A Short Overview
- (2016) Massimiliano di Cagno MOLECULES
- Dendrimer-entrapped gold nanoparticles modified with β-cyclodextrin for enhanced gene delivery applications
- (2016) Jieru Qiu et al. RSC Advances
- Enhancement of norfloxacin solubility via inclusion complexation with β-cyclodextrin and its derivative hydroxypropyl-β-cyclodextrin
- (2016) Gabriel Onn Kit Loh et al. Asian Journal of Pharmaceutical Sciences
- Molecular Dynamics Simulations of the Interaction of Beta Cyclodextrin with a Lipid Bilayer
- (2015) Wasinee Khuntawee et al. Journal of Chemical Information and Modeling
- Versatile and Rapid Postfunctionalization from Cyclodextrin Modified Host Polymeric Membrane Substrate
- (2015) Jie Deng et al. LANGMUIR
- A review of methods for the calculation of solution free energies and the modelling of systems in solution
- (2015) R. E. Skyner et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Review: A History of Cyclodextrins
- (2014) Grégorio Crini CHEMICAL REVIEWS
- Effect of liquid crystals with cyclodextrin on the bioavailability of a poorly water-soluble compound, diosgenin, after its oral administration to rats
- (2014) Masaki Okawara et al. INTERNATIONAL JOURNAL OF PHARMACEUTICS
- g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
- (2014) Rashmi Kumari et al. Journal of Chemical Information and Modeling
- Practical Aspects of Free-Energy Calculations: A Review
- (2014) Niels Hansen et al. Journal of Chemical Theory and Computation
- Surface Adsorption and Bulk Aggregation of Cyclodextrins by Computational Molecular Dynamics Simulations as a Function of Temperature: α-CD vs β-CD
- (2014) Edgar Mixcoha et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Effects of benznidazole:cyclodextrin complexes on the drug bioavailability upon oral administration to rats
- (2013) D. Leonardi et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates – experimental and theoretical gas – and condense phase study
- (2013) Bojidarka Ivanova et al. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
- Assessment of Common Simulation Protocols for Simulations of Nanopores, Membrane Proteins, and Channels
- (2012) Jirasak Wong-ekkabut et al. Journal of Chemical Theory and Computation
- Comparison of Secondary Structure Formation Using 10 Different Force Fields in Microsecond Molecular Dynamics Simulations
- (2012) Elio A. Cino et al. Journal of Chemical Theory and Computation
- Insight into the Structural Deformations of Beta-Cyclodextrin Caused by Alcohol Cosolvents and Guest Molecules
- (2012) Haiyang Zhang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Kinetics of hydrogen bonds in aqueous solutions of cyclodextrin and its methyl-substituted forms
- (2011) Madhurima Jana et al. JOURNAL OF CHEMICAL PHYSICS
- Intramolecular hydrogen bond energy and cooperative interactions in α-, β-, and γ-cyclodextrin conformers
- (2011) Milind M. Deshmukh et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Molecular dynamics of β-CD in water/co-solvent mixtures
- (2011) Kanokthip Srisuk Boonyarattanakalin et al. JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
- Strong Guest Binding by Cyclodextrin Hosts in Competing Nonpolar Solvents and the Unique Crystalline Structure
- (2011) Toshiyuki Kida et al. ORGANIC LETTERS
- Molecular Mechanism of Cyclodextrin Mediated Cholesterol Extraction
- (2011) Cesar A. López et al. PLoS Computational Biology
- Inclusion Complexes of Cyclodextrins with Galangin: a Thermodynamic and Reactivity Study
- (2010) Carolina Jullian et al. JOURNAL OF SOLUTION CHEMISTRY
- Crystal structure of a new cyclomaltoheptaose hydrate: β-cyclodextrin·7.5H2O
- (2009) Jian-Ye Li et al. CARBOHYDRATE RESEARCH
- A review on the use of cyclodextrins in foods
- (2009) G. Astray et al. FOOD HYDROCOLLOIDS
- Isothermal-isobaric molecular dynamics using stochastic velocity rescaling
- (2009) Giovanni Bussi et al. JOURNAL OF CHEMICAL PHYSICS
- IMPROVEMENT OF GALANGIN SOLUBILITY USING NATIVE AND DERIVATIVE CYCLODEXTRINS: AN UV-Vis AND NMR STUDY
- (2009) CAROLINA JULLIAN JOURNAL OF THE CHILEAN CHEMICAL SOCIETY
- Cyclodextrins
- (2008) Valentino J. Stella et al. TOXICOLOGIC PATHOLOGY
- P-LINCS: A Parallel Linear Constraint Solver for Molecular Simulation
- (2007) Berk Hess Journal of Chemical Theory and Computation
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started