Virtual screening for high affinity guests for synthetic supramolecular receptors.
W Cullen, S Turega, CA Hunter, MD Ward
– Chem Sci
(2015)
6,
2790
(DOI: 10.1039/c5sc00534e)
An interconverting family of coordination cages and a meso -helicate; Effects of temperature, concentration, and solvent on the product distribution of a self-assembly process
W Cullen, CA Hunter, MD Ward
– Inorganic chemistry
(2015)
54,
2626
(DOI: 10.1021/ic502780b)
Influence of non-covalent preorganization on supramolecular effective molarities.
H Sun, C Navarro, CA Hunter
– Organic & biomolecular chemistry
(2015)
13,
4981
(DOI: 10.1039/c5ob00231a)
The flexibility-complementarity dichotomy in receptor-ligand interactions
H Sun, CA Hunter, EM Llamas
– Chem Sci
(2014)
6,
1444
(DOI: 10.1039/c4sc03398a)
The roughness of the protein energy landscape results in anomalous diffusion of the polypeptide backbone.
M Volk, L Milanesi, JP Waltho, CA Hunter, GS Beddard
– Physical chemistry chemical physics : PCCP
(2014)
17,
762
(DOI: 10.1039/c4cp03058c)
Applications of dynamic combinatorial chemistry for the determination of effective molarity
M Ciaccia, I Tosi, L Baldini, R Cacciapaglia, L Mandolini, S Di Stefano, CA Hunter
– Chemical Science
(2014)
6,
144
(DOI: 10.1039/c4sc02347a)
Relationship Between Molecular Contact Thermodynamics and Surface Contact Mechanics (vol 28, pg 17709, 2012)
N Nikogeorgos, CA Hunter, GJ Leggett
– Langmuir
(2014)
30,
9623
(DOI: 10.1021/la5028338)
pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules.
W Cullen, S Turega, CA Hunter, MD Ward
– Chem Sci
(2014)
6,
625
(DOI: 10.1039/c4sc02090a)
Mapping the internal recognition surface of an octanuclear coordination cage using guest libraries
S Turega, W Cullen, M Whitehead, CA Hunter, MD Ward
– Journal of the American Chemical Society
(2014)
136,
8475
(DOI: 10.1021/ja504269m)
Virtual screening identifies new cocrystals of nalidixic acid
T Grecu, H Adams, CA Hunter, JF McCabe, A Portell, R Prohens
– Crystal Growth and Design
(2014)
14,
1749
(DOI: 10.1021/cg401889h)
Measurement of supramolecular effective molarities for intramolecular H-bonds in zinc porphyrin–imidazole complexes
MA Jinks, H Sun, CA Hunter
– Organic & Biomolecular Chemistry
(2014)
12,
1440
(DOI: 10.1039/c3ob42246a)
Metal hydrides form halogen bonds: measurement of energetics of binding.
DA Smith, L Brammer, CA Hunter, RN Perutz
– Journal of the American Chemical Society
(2014)
136,
1288
(DOI: 10.1021/ja4121499)
A solvent-resistant halogen bond
CC Robertson, RN Perutz, L Brammer, CA Hunter
– Chem. Sci.
(2014)
5,
4179
(DOI: 10.1039/c4sc01746c)
Halogen bonds to transition metal hydride complexes
RN Perutz, DA Smith, L Brammer, CA Hunter
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248,
Host-guest chemistry of a cubic coordination cage: pH dependent uptake and release of drug molecules
MD Ward, CA Hunter, W Cullen, S Turega, M Whitehead
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248,
Dynamic equilibrium between coordination cages of different sizes
WM Cullen, CA Hunter, MD Ward
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248,
Hydrogen bonds and halogen bonds: solid-state, solution-phase and theory
L Brammer, CC Robertson, CA Hunter, RN Perutz
– ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2014)
70,
C597
Fac and mer isomers of Ru(<scp>ii</scp>) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics
AJ Metherell, W Cullen, A Stephenson, CA Hunter, MD Ward
– Dalton Transactions
(2014)
43,
71
(DOI: 10.1039/c3dt52479e)
Validation of a computational cocrystal prediction tool: Comparison of virtual and experimental cocrystal screening results
T Grecu, CA Hunter, EJ Gardiner, JF McCabe
– Crystal Growth and Design
(2013)
14,
165
(DOI: 10.1021/cg401339v)
Footprinting molecular electrostatic potential surfaces for calculation of solvation energies
CS Calero, J Farwer, EJ Gardiner, CA Hunter, M Mackey, S Scuderi, S Thompson, JG Vinter
– Physical chemistry chemical physics : PCCP
(2013)
15,
18262
(DOI: 10.1039/c3cp53158a)