Virtual Cocrystal Screening of Adefovir Dipivoxyl: Identification of New Solid Forms with Improved Dissolution and Permeation Profiles.
R Barbas, H Fael, S Lee, R Ruiz, CA Hunter, E Fuguet, C Ràfols, R Prohens
– Pharmaceutics
(2022)
14,
2310
Quantitative measurement of cooperativity in H-bonded networks
L Trevisan, AD Bond, CA Hunter
– Journal of the American Chemical Society
(2022)
144,
19499
(DOI: 10.1021/jacs.2c08120)
H-bond Cooperativity: Polarisation Effects on Secondary Amides
DO Soloviev, FE Hanna, MC Misuraca, CA Hunter
– Chem Sci
(2022)
13,
11863
(DOI: 10.1039/d2sc04271a)
Replication of a synthetic oligomer using chameleon base-pairs
D Núñez-Villanueva, CA Hunter
– Chemical communications (Cambridge, England)
(2022)
58,
11005
(DOI: 10.1039/d2cc04580j)
H‑Bond Templated Oligomer Synthesis Using a Covalent Primer
D Núñez-Villanueva, CA Hunter
– J Am Chem Soc
(2022)
144,
17307
(DOI: 10.1021/jacs.2c08119)
Quantification of secondary electrostatic interactions in H-bonded complexes.
MC Storer, CA Hunter
– Phys Chem Chem Phys
(2022)
24,
18124
(DOI: 10.1039/d2cp03004g)
Systematic Parameterization of Ion-Surfactant Interactions in Dissipative Particle Dynamics Using Setschenow Coefficients.
E Lavagnini, JL Cook, PB Warren, CA Hunter
– The Journal of Physical Chemistry B: Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter
(2022)
126,
2308
(DOI: 10.1021/acs.jpcb.2c00101)
ThX: a next generation probe for the early detection of amyloid aggregates
L-M Needham, J Weber, JA Varela, JWB Fyfe, DT Do, CK Xu, D Klenerman, CM Dobson, CA Hunter, SE Bohndiek, TN Snaddon, SF Lee
– Biophysical Journal
(2022)
121,
19a
(DOI: 10.1016/j.bpj.2021.11.2608)
Combined computational/experimental investigation of new cocrystals of the drug bosentan
R Barbas, A Portell, CA Hunter, R Prohens, A Frontera
– CrystEngComm
(2022)
24,
5105
(DOI: 10.1039/d2ce00581f)
SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications.
MD Driver, MJ Williamson, N De Mitri, T Nikolov, CA Hunter
– J Chem Inf Model
(2021)
61,
5331
(DOI: 10.1021/acs.jcim.1c01006)
Duplex <i>vs.</i> folding: tuning the self-assembly of synthetic recognition-encoded aniline oligomers.
D Rosa-Gastaldo, V Pečiukėnas, CA Hunter, L Gabrielli
– Organic and Biomolecular Chemistry
(2021)
19,
8947
(DOI: 10.1039/d1ob01882e)
Artificial transmembrane signal transduction mediated by dynamic covalent chemistry
C Bravin, N Duindam, CA Hunter
– Chemical Science
(2021)
12,
14059
(DOI: 10.1039/d1sc04741h)
Dissection of the Polar and Non‐Polar Contributions to Aromatic Stacking Interactions in Solution
C Bravin, JA Piękoś, G Licini, CA Hunter, C Zonta
– Angew Chem Int Ed Engl
(2021)
60,
23871
(DOI: 10.1002/anie.202110809)
Dissection of the Polar and Non‐Polar Contributions to Aromatic Stacking Interactions in Solution
C Bravin, JA Piękoś, G Licini, CA Hunter, C Zonta
– Angewandte Chemie
(2021)
133,
24064
(DOI: 10.1002/ange.202110809)
An empirical model for solvation based on surface site interaction points.
DP Reynolds, MC Storer, CA Hunter
– Chem Sci
(2021)
12,
13193
(DOI: 10.1039/d1sc03392a)
Transmembrane signal transduction by cofactor transport.
I Kocsis, Y Ding, NH Williams, CA Hunter
– Chemical Science
(2021)
12,
12377
(DOI: 10.1039/d1sc03910e)
High-affinity tamoxifen analogues retain extensive positional disorder when bound to calmodulin
L Milanesi, CR Trevitt, B Whitehead, AM Hounslow, S Tomas, LLP Hosszu, CA Hunter, JP Waltho
– Magnetic resonance (Gottingen, Germany)
(2021)
2,
629
(DOI: 10.5194/mr-2-629-2021)
Water and the Cation-π Interaction.
Y Zhu, M Tang, H Zhang, F-U Rahman, P Ballester, J Rebek, CA Hunter, Y Yu
– Journal of the American Chemical Society
(2021)
143,
12397
(DOI: 10.1021/jacs.1c06510)
Folding and duplex formation in mixed sequence recognition-encoded<i>m</i>-phenylene ethynylene polymers
G Iadevaia, JA Swain, D Núñez-Villanueva, AD Bond, CA Hunter
– Chem Sci
(2021)
12,
10218
(DOI: 10.1039/d1sc02288a)
Mapping the Binding Site Topology of Amyloid Protein Aggregates using Multivalent Ligands.
E Sanna, M Rodrigues, SG Fagan, TS Chisholm, K Kulenkampff, D Klenerman, MG Spillantini, FI Aigbirhio, CA Hunter
– Chem Sci
(2021)
12,
8892
(DOI: 10.1039/d1sc01263k)