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Overview of the SAMPL5 host-guest challenge: Are we doing better?

J Comput Aided Mol Des 31: 1-19 (2016)

University of California San Diego

2D 3D  TSV

The SAMPL4 host-guest blind prediction challenge: an overview.

J Comput Aided Mol Des 28: 305-17 (2014)

University of California San Diego

2D 3D  TSV

Blind prediction of host-guest binding affinities: a new SAMPL3 challenge.

J Comput Aided Mol Des 26: 475-87 (2012)

University of California San Diego

2D 3D  TSV

Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution.

Chemistry 16: 13716-22 (2010)

University of Cambridge

2D 3D  TSV

Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system.

J Phys Chem B 114: 8606-15 (2010)

University of Cambridge

2D 3D  TSV

Complexation of ferrocene derivatives by the cucurbit[7]uril host: a comparative study of the cucurbituril and cyclodextrin host families.

J Am Chem Soc 127: 12984-9 (2005)

University of Miami

2D 3D  TSV

Rigid duplex alpha-cyclodextrin reversibly connected with disulfide bonds. Synthesis and inclusion complexes.

J Org Chem 74: 1082-92 (2009)

Institute of Organic Chemistry and Biochemistry AS CR

2D 3D  TSV

Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers.

J Org Chem 69: 173-80 (2004)

Nankai University

2D 3D  TSV

 

Calorimetric Studies on the Complexation of Several Ferrocene Derivatives by .alpha.- and .beta.-Cyclodextrin. Effects of Urea on the Thermodynamic Parameters

J Phys Chem 99: 17449-55 (1995)

University of Miami

2D  3D TSV

 

Host properties of cyclodextrins towards anion constituents of antigenic determinants. A thermodynamic study in water and in N,N-dimethylformamide

J Am Chem Soc 112: 8442-7 (1990)

University of Surrey

2D  3D TSV

Thermodynamic and kinetic characterization of host-guest association between bolaform surfactants and alpha- and beta-cyclodextrins.

J Phys Chem B 112: 11310-6 (2008)

Lund University

2D 3D  TSV

Effect of beta-cyclodextrin charge type on the molecular recognition thermodynamics of reactions with (ferrocenylmethyl)dimethylaminium derivatives.

J Phys Chem B 112: 1445-50 (2008)

Nankai University

2D 3D  TSV

Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives.

J Phys Chem B 109: 9719-26 (2005)

Universidade de Santiago de Compostela

2D 3D  TSV

Novel behavior of O-methylated beta-cyclodextrins in inclusion of meso-tetraarylporphyrins.

J Org Chem 70: 3667-73 (2005)

Doshisha University

2D 3D  TSV

Complexation and chiral recognition thermodynamics of gamma-cyclodextrin with N-acetyl- and N-carbobenzyloxy-dipeptides possessing two aromatic rings.

J Org Chem 68: 5228-35 (2003)

Japan Science and Technology Agency

2D 3D  TSV

 

Cyclodextrin Inclusion Complexes: Studies of the Variation in the Size of Alicyclic Guests

J Am Chem Soc 111: 6765-72 (1989)

University of Mississippi

2D  3D TSV

 

Thermodynamic and Nuclear Magnetic Resonance Study of the Reactions of α- and β-Cyclodextrin with Acids, Aliphatic Amines, and Cyclic Alcohols

J Phys Chem B 101: 87-100 (1997)

NIST

2D  3D TSV

Solvent and guest isotope effects on complexation thermodynamics of alpha-, beta-, and 6-amino-6-deoxy-beta-cyclodextrins.

J Am Chem Soc 124: 12361-71 (2002)

Japan Science and Technology Agency

2D 3D  TSV

 

Thermodynamic Origin of Molecular Selective Binding of Bile Salts by Aminated β-Cyclodextrins

J Phys Chem B 107: 14130 (2003)

Nankai University

2D  3D TSV

Diastereomeric molecular recognition and binding behavior of bile acids by L/D-tryptophan-modified beta-cyclodextrins.

J Org Chem 70: 8703-11 (2005)

Nankai University

2D 3D  TSV

 

A Thermodynamic Study of the Reactions of Cyclodextrins with Primary and Secondary Aliphatic Alcohols, with D- and L-Phenylalanine, and with L-Phenylalanine Amide

J Phys Chem 98: 10282-10288 (1994)

NIST

2D  3D TSV

 

Thermodynamics of molecular recognition by cyclodextrins. 1. Calorimetric titration of inclusion complexation of naphthalenesulfonates with .alpha.-, .beta.-, and .gamma.-cyclodextrins: enthalpy-entropy compensation

J Am Chem Soc 115: 475-481 (1993)

Himeji Institute of Technology

2D  3D TSV

Thermodynamics of hydrogen bond and hydrophobic interactions in cyclodextrin complexes.

Biophys J 71: 2144-54 (1996)

NIH

2D 3D  TSV

 

Critical Difference in Chiral Recognition of N-Cbz-d/l-aspartic and -glutamic Acids by Mono- and Bis(Trimethylammonio)-β-cyclodextrins

J Am Chem Soc 123: 5360-5361 (2000)

Nagoya Institute of Technology

2D  3D TSV

Complexation and chiral recognition thermodynamics of 6-amino-6-deoxy-beta-cyclodextrin with anionic, cationic, and neutral chiral guests: counterbalance between van der Waals and coulombic interactions.

J Am Chem Soc 124: 813-26 (2002)

Japan Science and Technology Agency

2D 3D  TSV

Factors controlling the complex architecture of native and modified cyclodextrins with dipeptide (Z-Glu-Tyr) studied by microcalorimetry and NMR spectroscopy: critical effects of peripheral bis-trimethylamination and cavity size.

J Am Chem Soc 126: 14224-33 (2004)

Nagoya Institute of Technology

2D 3D  TSV

 

Chiral Recognition Thermodynamics of β-Cyclodextrin: The Thermodynamic Origin of Enantioselectivity and the Enthalpy-Entropy Compensation Effect

J Am Chem Soc 122: 4418-35 (2000)

Japan Science and Technology Agency

2D  3D TSV

 

Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related Substances

J Am Chem Soc 117: 8830-40 (1995)

NIST

2D  3D TSV

 

THERMODYNAMIC AND NMR STUDY OF THE INTERACTIONS OF CYCLODEXTRINS WITH CYCLOHEXANE DERIVATIVES

J Phys Chem 98: 4098-4103 (1994)

National Institute of Standards and Technology

2D  3D TSV