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Department of Chemistry

 

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  • Currently displaying 61 - 80 of 20467 publications
Prospectively Validated Proteochemometric Models for the Prediction of Small Molecule Binding to Bromodomain Proteins
KA Giblin, SJ Hughes, H Boyd, P Hansson, A Bender
– J Chem Inf Model
(2018)
Coordination Cages Based on Bis(pyrazolylpyridine) Ligands: Structures, Dynamic Behavior, Guest Binding, and Catalysis.
MD Ward, CA Hunter, NH Williams
– Acc Chem Res
(2018)
Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials
L Li, T Totton, D Frenkel
– The Journal of chemical physics
(2018)
149,
054102
Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data.
B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender
– Molecular Omics
(2018)
14,
218
Synthesis and characterisation of peroxypinic acids as proxies for highly oxygenated molecules (HOMs) in secondary organic aerosol
SS Steimer, A Delvaux, SJ Campbell, PJ Gallimore, P Grice, DJ Howe, D Pitton, M Claeys, T Hoffmann, M Kalberer
– Atmospheric Chemistry and Physics
(2018)
18,
10973
Mixed X-Site Formate-Hypophosphite Hybrid Perovskites
Y Wu, DM Halat, F Wei, T Binford, ID Seymour, MW Gaultois, S Shaker, J Wang, CP Grey, AK Cheetham
– Chemistry
(2018)
24,
11309
Extrinsic Amyloid-Binding Dyes for the Detection of Individual Protein Aggregates in Solution
CG Taylor, G Meisl, MH Horrocks, H Zetterberg, TPJ Knowles, D Klenerman
– Anal Chem
(2018)
90,
10385
Promiscuous and Selective: How Intrinsically Disordered BH3 Proteins Interact with Their Pro-survival Partner MCL-1.
L Dahal, TOC Kwan, JJ Hollins, J Clarke
– Journal of molecular biology
(2018)
430,
2468
Biasing Smarter, Not Harder, By Partitioning Collective Variables Into Families in Parallel Bias Metadynamics.
A Prakash, CD Fu, M Bonomi, J Pfaendtner
– Journal of Chemical Theory and Computation
(2018)
Structural Ensemble Modulation upon Small-Molecule Binding to Disordered Proteins.
GT Heller, M Bonomi, M Vendruscolo
– Journal of molecular biology
(2018)
430,
2288
Time Propagation and Spectroscopy of Fermionic Systems Using a Stochastic Technique
K Guther, W Dobrautz, O Gunnarsson, A Alavi
– Phys Rev Lett
(2018)
121,
056401
Interfacial Engineering of a Carbon Nitride–Graphene Oxide–Molecular Ni Catalyst Hybrid for Enhanced Photocatalytic Activity
H Kasap, R Godin, C Jeay-Bizot, DS Achilleos, X Fang, JR Durrant, E Reisner
– ACS Catalysis
(2018)
8,
6914
Anionic surfactant induced desorption of a cationic surfactant from mica
FJ Allen, CL Truscott, RJL Welbourn, SM Clarke
– Applied Clay Science
(2018)
160,
276
Solution Fibre Spinning Technique for the Fabrication of Tuneable Decellularised Matrix-Laden Fibres and Fibrous Micromembranes.
Z Li, J Tuffin, IM Lei, FS Ruggeri, NS Lewis, EL Gill, T Savin, L Huleihel, SF Badylak, T Knowles, SC Satchell, GI Welsh, MA Saleem, YYS Huang
– Acta Biomater
(2018)
78,
111
Advances in the synthesis and long-term protection of zero-valent iron nanoparticles
JP Mehta, BR Knappett, G Divitini, E Ringe, PA Midgley, D Fairen-Jimenez, AEH Wheatley
– Particle and Particle Systems Characterization
(2018)
35,
1800120
THE EFFECT OF SUCCINATE ON BRAIN NADH/NAD1 REDOX STATE AND HIGH ENERGY PHOSPHATE METABOLISM IN ACUTE TRAUMATIC BRAIN INJURY
MG Stovell, M Mada, A Helmy, EP Thelin, J-L Yan, M Guilfoyle, I Jalloh, D Howe, P Grice, A Mason, S Giorgi-Coll, C Gallagher, M Murphy, DK Menon, AT Carpenter, PJA Hutchinson, KLH Carpenter
– JOURNAL OF NEUROTRAUMA
(2018)
35,
A242
The use of strontium ferrite in chemical looping systems
E Marek, W Hu, M Gaultois, CP Grey, SA Scott
– Applied Energy
(2018)
223,
369
Predicting Pathways between Distant Configurations for Biomolecules
K Roder, DJ Wales
– JOURNAL OF CHEMICAL THEORY AND COMPUTATION
(2018)
14,
4271
Ultrastructure and optics of the prism-like petal epidermal cells of Eschscholzia californica (California poppy)
BD Wilts, PJ Rudall, E Moyroud, T Gregory, Y Ogawa, S Vignolini, U Steiner, BJ Glover
– New Phytol
(2018)
219,
1124
ALKALOSIS AND HIGH PHOSPHOCREATINE/ATP RATIO IN THE ACUTELY TRAUMATISED BRAIN AND ITS RELATION TO OUTCOME
MG Stovell, M Mada, AT Carpenter, J-L Yan, M Guilfoyle, I Jalloh, K Welsh, A Helmy, D Howe, P Grice, A Mason, S Giorgi-Coll, C Gallagher, M Murphy, DK Menon, PJA Hutchinson, KLH Carpenter
– JOURNAL OF NEUROTRAUMA
(2018)
35,
A111