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Department of Chemistry

 

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  • Currently displaying 121 - 140 of 20616 publications
Calculation of the water-octanol partition coefficient of cholesterol for SPC, TIP3P, and TIP4P water.
JR Espinosa, CR Wand, C Vega, E Sanz, D Frenkel
– The Journal of chemical physics
(2018)
149,
224501
Maximizing gain in high-throughput screening using conformal prediction.
F Svensson, AM Afzal, U Norinder, A Bender
– J Cheminform
(2018)
10,
7
Recruitment of patients with Chronic Obstructive Pulmonary Disease (COPD) from the Clinical Practice Research Datalink (CPRD) for research.
JK Quint, E Moore, A Lewis, M Hashmi, K Sultana, M Wright, L Smeeth, L Chatzidiakou, R Jones, S Beevers, S Kolozali, F Kelly, B Barratt
– NPJ Prim Care Respir Med
(2018)
28,
21
Image-Assisted Microvessel-on-a-Chip Platform for Studying Cancer Cell Transendothelial Migration Dynamics
C Bertulli, M Gerigk, N Piano, Y Liu, D Zhang, T Müller, TJ Knowles, YYS Huang
– Scientific reports
(2018)
8,
12480
Recent multivariate changes in the North Atlantic climate system, with a focus on 2005-2016
J Robson, RT Sutton, A Archibald, F Cooper, M Christensen, LJ Gray, NP Holliday, C Macintosh, M McMillan, B Moat, M Russo, R Tilling, K Carslaw, D Desbruyères, O Embury, DL Feltham, DP Grosvenor, S Josey, B King, A Lewis, GD McCarthy, C Merchant, AL New, CH O'Reilly, SM Osprey, K Read, A Scaife, A Shepherd, B Sinha, D Smeed, D Smith, A Ridout, T Woollings, M Yang
– International Journal of Climatology
(2018)
38,
5050
Conjugated hybrid films based on a new polyoxotitanate monomer.
G Liu, X Yang, A Bonnefont, Y Lv, J Chen, W Dan, Z Chen, L Ruhlmann, DS Wright, C Zhang
– Chemical Communications
(2018)
54,
14132
Impedance-based sensor for potassium ions
C Day, S Søpstad, H Ma, C Jiang, A Nathan, SR Elliott, FE Karet Frankl, T Hutter
– Analytica Chimica Acta
(2018)
1034,
39
Analysis of NRAS RNA G-quadruplex binding proteins reveals DDX3X as a novel interactor of cellular G-quadruplex containing transcripts
B Herdy, C Mayer, D Varshney, G Marsico, P Murat, C Taylor, C D'Santos, D Tannahill, S Balasubramanian
– Nucleic acids research
(2018)
46,
11592
Orthogonal Stimuli Trigger Self-Assembly and Phase Transfer of FeII4L4 Cages and Cargoes
AJ McConnell, CJE Haynes, AB Grommet, CM Aitchison, J Guilleme, S Mikutis, JR Nitschke
– J Am Chem Soc
(2018)
140,
16952
Mechanobiology of Protein Droplets: Force Arises from Disorder.
TJ Welsh, Y Shen, A Levin, TPJ Knowles
– Cell
(2018)
175,
1457
Photochemical Homologation for the Preparation of Aliphatic Aldehydes in Flow
Y Chen, M Leonardi, P Dingwall, R Labes, P Pasau, DC Blakemore, S Ley
– The Journal of Organic Chemistry
Large scale parallelization in stochastic coupled cluster
JS Spencer, VA Neufeld, WA Vigor, RST Franklin, AJW Thom
– J Chem Phys
(2018)
149,
204103
Direct Oxidation of Csp3−H bonds using in Situ Generated Trifluoromethylated Dioxirane in Flow
M Lesieur, C Battilocchio, R Labes, J Jacq, C Genicot, SV Ley, P Pasau
– Chemistry – A European Journal
(2018)
25,
1203
Translational switching of Cry1 protein expression confers reversible control of circadian behavior in arrhythmic Cry-deficient mice
ES Maywood, TS Elliott, AP Patton, TP Krogager, JE Chesham, RJ Ernst, V Beránek, M Brancaccio, JW Chin, MH Hastings
– Proceedings of the National Academy of Sciences
(2018)
115,
E12388
Cloud impacts on photochemistry: Building a climatology of photolysis rates from the Atmospheric Tomography mission
SR Hall, K Ullmann, MJ Prather, CM Flynn, LT Murray, AM Fiore, G Correa, SA Strode, SD Steenrod, JF Lamarque, J Guth, B Josse, J Flemming, V Huijnen, N Luke Abraham, AT Archibald
– Atmospheric Chemistry and Physics
(2018)
18,
16809
The HANDE-QMC project: open-source stochastic quantum chemistry from the ground state up
JS Spencer, NS Blunt, S Choi, J Etrych, M-A Filip, WMC Foulkes, RST Franklin, WJ Handley, FD Malone, VA Neufeld, RD Remigio, TW Rogers, CJC Scott, JJ Shepherd, WA Vigor, J Weston, R Xu, AJW Thom
– Journal of Chemical Theory and Computation
acs.jctc.8b01217
Folding pathway of an Ig domain is conserved on and off the ribosome.
P Tian, A Steward, R Kudva, T Su, PJ Shilling, AA Nickson, JJ Hollins, R Beckmann, G von Heijne, J Clarke, RB Best
– Proc Natl Acad Sci U S A
(2018)
115,
E11284
Quantifying Co-Oligomer Formation by α-Synuclein.
M Iljina, AJ Dear, GA Garcia, S De, L Tosatto, P Flagmeier, DR Whiten, TCT Michaels, D Frenkel, CM Dobson, TPJ Knowles, D Klenerman
– ACS Nano
(2018)
12,
10855
Estimation of permutation-based metabolome-wide significance thresholds: Supplementary material
A Peluso, R Glen, T Ebbels
(2018)
Radical-Mediated Thiol-Ene Strategy: Photoactivation of Thiol-Containing Drugs in Cancer Cells.
S Sun, BL Oliveira, G Jiménez-Osés, GJL Bernardes
– Angewandte Chemie - International Edition
(2018)
57,
15832