Related references
Note: Only part of the references are listed.130 years of cyclodextrin discovery for health, food, agriculture, and the industry: a review
Nadia Morin-Crini et al.
ENVIRONMENTAL CHEMISTRY LETTERS (2021)
Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods
Yener Unal et al.
VIBRATIONAL SPECTROSCOPY (2021)
Inclusion Complexes of Naringenin in Dimethylated and Permethylated β-Cyclodextrins: Crystal Structures and Molecular Dynamics Studies
Andreas Papaioannou et al.
CRYSTALS (2020)
Comparative DFT study of inclusion complexes of thymidine-carborane conjugate with β-cyclodextrin and heptakis (2,6-O-dimethyl)-β-cyclodextrin in water
Anna Ignaczak et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
Cyclodextrin inclusion complexation and pharmaceutical applications
Helmut Viernstein et al.
SCIENCEASIA (2020)
A review on thermal analyses of cyclodextrins and cyclodextrin complexes
Nicoleta G. Hadaruga et al.
ENVIRONMENTAL CHEMISTRY LETTERS (2019)
Water inside β-cyclodextrin cavity: amount, stability and mechanism of binding
Stiliyana Pereva et al.
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2019)
Cyclodextrins: structure, physicochemical properties and pharmaceutical applications
Phatsawee Jansook et al.
INTERNATIONAL JOURNAL OF PHARMACEUTICS (2018)
Picosecond Solvation Dynamics in Nanoconfinement: Role of Water and Host-Guest Complexation
Suman Biswas et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
Solubility of Cyclodextrins and Drug/Cyclodextrin Complexes
Phennapha Saokham et al.
MOLECULES (2018)
Host-Guest Interactions of Plumbagin with β-Cyclodextrin, Dimethyl-β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin:Semi-Empirical Quantum Mechanical PM6 and PM7 Methods
Ornin Srihakulung et al.
SCIENTIA PHARMACEUTICA (2018)
Deeper insight into the properties of the newly synthesized macrocycles as drug receptors - some preliminary quantum chemical studies
Anna Ignaczak et al.
NEW JOURNAL OF CHEMISTRY (2017)
Quantum chemical study and isothermal titration calorimetry of β-cyclodextrin complexes with mianserin in aqueous solution
Anna Ignaczak et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2017)
Cyclodextrins in pharmaceutical formulations II: solubilization, binding constant, and complexation efficiency
Sunil S. Jambhekar et al.
DRUG DISCOVERY TODAY (2016)
Cyclodextrins in pharmaceutical formulations I: structure and physicochemical properties, formation of complexes, and types of complex
Sunil S. Jambhekar et al.
DRUG DISCOVERY TODAY (2016)
Density Functional Theory and Hydrogen Bonds: Are We There Yet?
A. Daniel Boese
CHEMPHYSCHEM (2015)
Analytical techniques for characterization of cyclodextrin complexes in the solid state: A review
Paola Mura
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS (2015)
Influence of Ethanol as a Co-Solvent in Cyclodextrin Inclusion Complexation: A Molecular Dynamics Study
Kanokthip Boonyarattanakalin et al.
SCIENTIA PHARMACEUTICA (2015)
Calorimetric and spectroscopic characterization of complexes between β-cyclodextrin or heptakis (2,6-di-O-methyl)-β-cyclodextrin and sertraline hydrochloride in aqueous solution
S. Belica et al.
JOURNAL OF CHEMICAL THERMODYNAMICS (2014)
Enhanced stability of a naringenin/2,6-dimethyl β-cyclodextrin inclusion complex: Molecular dynamics and free energy calculations based on MM- and QM-PBSA/GBSA
Waratchada Sangpheak et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2014)
Molecular Dynamics Study of β-Cyclodextrin-Phenylalanine (1:1) Inclusion Complex in Aqueous Medium
Madhurima Jana et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Quantum chemical calculations based on ONIOM and the DFT methods in the inclusion complex: doxycycline/2-O-Me-β-cyclodextrin
Soraya Benghodbane et al.
JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY (2013)
Influence of intramolecular hydrogen bonds on the binding potential of methylated β-cyclodextrin derivatives
Gerhard Wenz
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY (2012)
Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory
Stefan Grimme
CHEMISTRY-A EUROPEAN JOURNAL (2012)
Gabedit-A Graphical User Interface for Computational Chemistry Softwares
Abdul-Rahman Allouche
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Hydration Properties of α-, β-, and γ-Cyclodextrins from Molecular Dynamics Simulations
Madhurima Jana et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation
Roberto Peverati et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Studies of inclusion complexes of natural and modified cyclodextrin with (+)catechin by NMR and molecular modeling
Carolina Jullian et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2007)
Hydration and flexibility of α-, β-, γ- and δ-cyclodextrin:: A molecular dynamics study
Giuseppina Raffaini et al.
CHEMICAL PHYSICS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions
Y Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Quantum mechanical continuum solvation models
J Tomasi et al.
CHEMICAL REVIEWS (2005)
Electrophoretic separation strategy for chiral pharmaceuticals using highly-sulfated and neutral cyclodextrins based dual selector systems
N Matthijs et al.
ANALYTICA CHIMICA ACTA (2004)
Stereoselective synthesis of (R)-(-)-mianserin
J Pawlowska et al.
TETRAHEDRON-ASYMMETRY (2003)
Study of inclusion complexes of acridine with β- and (2,6-di-O-methyl)-β-cyclodextrin by use of solubility diagrams and NMR spectroscopy
I Correia et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2002)
Structure of the complex of heptakis(2,6-di-O-methyl)-β-cyclodextrin with (2,4-dichlorophenoxy) acetic acid
F Tsorteki et al.
CARBOHYDRATE RESEARCH (2002)
Pseudopolymorphism in tetradeca-2,6-O-methyl-β-cyclodextrin:: The crystal structures for two new hydrates-conformational variability in the alkylated β-cyclodextrin molecule
JJ Stezotski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)