Virtual screening for high affinity guests for synthetic supramolecular receptors.
Chemical science
(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.
Inorg Chem
(2015)
54
2626
(doi: 10.1021/ic502780b)
Influence of non-covalent preorganization on supramolecular effective molarities.
Organic & Biomolecular Chemistry
(2015)
13
4981
(doi: 10.1039/c5ob00231a)
The flexibility-complementarity dichotomy in receptor-ligand interactions.
Chemical science
(2014)
6
1444
(doi: 10.1039/c4sc03398a)
The roughness of the protein energy landscape results in anomalous diffusion of the polypeptide backbone
Physical Chemistry Chemical Physics
(2014)
17
762
(doi: 10.1039/c4cp03058c)
Applications of dynamic combinatorial chemistry for the determination of effective molarity
Chem Sci
(2014)
6
144
(doi: 10.1039/c4sc02347a)
Halogen bonds to transition metal hydride complexes
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
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
Dynamic equilibrium between coordination cages of different sizes
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2014)
248
pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules.
Chem Sci
(2014)
6
625
(doi: 10.1039/c4sc02090a)
Relationship Between Molecular Contact Thermodynamics and Surface Contact Mechanics (vol 28, pg 17709, 2012)
Langmuir
(2014)
30
9623
(doi: 10.1021/la5028338)
Mapping the internal recognition surface of an octanuclear coordination cage using guest libraries
J Am Chem Soc
(2014)
136
8475
(doi: 10.1021/ja504269m)
Virtual Screening Identifies New Cocrystals of Nalidixic Acid
Crystal Growth & Design
(2014)
14
1749
(doi: 10.1021/cg401889h)
Measurement of supramolecular effective molarities for intramolecular H-bonds in zinc porphyrin–imidazole complexes
Org Biomol Chem
(2014)
12
1440
(doi: 10.1039/c3ob42246a)
Metal hydrides form halogen bonds: Measurement of energetics of binding
Journal of the American Chemical Society
(2014)
136
1288
(doi: 10.1021/ja4121499)
Fac and mer isomers of Ru( ii ) tris(pyrazolyl-pyridine) complexes as models for the vertices of coordination cages: structural characterisation and hydrogen-bonding characteristics
Dalton Trans
(2014)
43
71
(doi: 10.1039/c3dt52479e)
Hydrogen bonds and halogen bonds: solid-state, solution-phase and theory
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
(2014)
70
C597
Validation of a computational cocrystal prediction tool: Comparison of virtual and experimental cocrystal screening results
Crystal Growth and Design
(2013)
14
165
(doi: 10.1021/cg401339v)
Footprinting molecular electrostatic potential surfaces for calculation of solvation energies
Phys Chem Chem Phys
(2013)
15
18262
(doi: 10.1039/c3cp53158a)
