Water vs. cucurbituril rim: a fierce competition for guest solvation

The Hydrophobic Effect Revisited-Studies with Supramolecular Complexes Imply High-Energy Water as a Noncovalent Driving Force

(2014) Frank Biedermann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Blind Prediction of Binding Affinities for Charged Supramolecular Host–Guest Systems: Achievements and Shortcomings of DFT-D3

(2014) Rebecca Sure et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Cucurbit[8]uril and Blue-Box: High-Energy Water Release Overwhelms Electrostatic Interactions

(2013) Frank Biedermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Absolute and relative binding affinity of cucurbit[7]uril towards a series of cationic guests

(2013) Liping Cao et al.   SUPRAMOLECULAR CHEMISTRY

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Release of High-Energy Water as an Essential Driving Force for the High-Affinity Binding of Cucurbit[n]urils

(2012) Frank Biedermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Deep Inside Cucurbiturils: Physical Properties and Volumes of their Inner Cavity Determine the Hydrophobic Driving Force for Host-Guest Complexation

(2011) Werner M. Nau et al.   ISRAEL JOURNAL OF CHEMISTRY

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

New Ultrahigh Affinity Host−Guest Complexes of Cucurbit[7]uril with Bicyclo[2.2.2]octane and Adamantane Guests: Thermodynamic Analysis and Evaluation of M2 Affinity Calculations

(2011) Sarvin Moghaddam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cucurbituril chemistry: a tale of supramolecular success

(2011) Eric Masson et al.   RSC Advances

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Modulation of Excited-State Proton Transfer of 2-(2′-Hydroxyphenyl)benzimidazole in a Macrocyclic Cucurbit[7]uril Host Cavity: Dual Emission Behavior and pKaShift

(2009) Mhejabeen Shaikh et al.   CHEMISTRY-A EUROPEAN JOURNAL

Host–guest complexations of local anaesthetics by cucurbit[7]uril in aqueous solution

(2009) Ian W. Wyman et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Activation and Stabilization of Drugs by Supramolecular pKaShifts: Drug‐Delivery Applications Tailored for Cucurbiturils

(2008) Na'il Saleh et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Salt-induced guest relocation from a macrocyclic cavity into a biomolecular pocket: interplay between cucurbit[7]uril and albumin

(2008) Mhejabeen Shaikh et al.   CHEMICAL COMMUNICATIONS

Design of a Fluorescent Dye for Indicator Displacement from Cucurbiturils: A Macrocycle-Responsive Fluorescent Switch Operating through a pKaShift

(2008) Antonia Praetorius et al.   ORGANIC LETTERS