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  • Currently displaying 1 - 20 of 21676 publications
Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5.
K Konstantinou, FC Mocanu, T-H Lee, SR Elliott
– Nature communications
Trodusquemine enhances Aβ
R Limbocker, S Chia, FS Ruggeri, M Perni, R Cascella, GT Heller, G Meisl, B Mannini, J Habchi, TCT Michaels, PK Challa, M Ahn, ST Casford, N Fernando, CK Xu, ND Kloss, SIA Cohen, JR Kumita, C Cecchi, M Zasloff, S Linse, TPJ Knowles, F Chiti, M Vendruscolo, CM Dobson
– Nat Commun
KekuleScope: prediction of cancer cell line sensitivity and compound potency using convolutional neural networks trained on compound images.
I Cortes-Ciriano, A Bender
– Journal of Cheminformatics
Different soluble aggregates of A beta 42 can give rise to cellular toxicity through different mechanisms
S De, DC Wirthensohn, P Flagmeier, C Hughes, FA Aprile, FS Ruggeri, DR Whiten, D Emin, Z Xia, JA Varela, P Sormanni, F Kundel, TPJ Knowles, CM Dobson, C Bryant, M Vendruscolo, D Klenerman
– Nat Commun
Morphological effects on the photocatalytic properties of SnO2 nanostructures
A Kar, J Olszówka, S Sain, SRI Sloman, O Montes, A Fernández, SK Pradhan, AEH Wheatley
– Journal of Alloys and Compounds
Gaining insight into toxicity predicting machine learning algorithms
TEH Allen, E Gelzinyte, AJ Wedlake, JM Goodman, S Gutsell, PJ Russell
Infrared nanospectroscopic mapping of a single metaphase chromosome
E Lipiec, FS Ruggeri, C Benadiba, AM Borkowska, JD Kobierski, J Miszczyk, BR Wood, GB Deacon, A Kulik, G Dietler, WM Kwiatek
– Nucleic Acids Res
LightGBM: An Effective and Scalable Algorithm for Prediction of Chemical Toxicity - Application to the Tox21 and Mutagenicity Datasets.
J Zhang, D Mucs, U Norinder, F Svensson
– Journal of Chemical Information and Modeling
Modulating the Mechanical Performance of Macroscale Fibers through Shear-Induced Alignment and Assembly of Protein Nanofibrils.
A Kamada, A Levin, Z Toprakcioglu, Y Shen, V Lutz-Bueno, KN Baumann, P Mohammadi, MB Linder, R Mezzenga, TPJ Knowles
– Small
Visualizing reaction and diffusion in xanthan gum aerosol particles exposed to ozone
PA Alpert, P Corral Arroyo, J Dou, UK Krieger, SS Steimer, J-D Förster, F Ditas, C Pöhlker, S Rossignol, M Passananti, S Perrier, C George, M Shiraiwa, T Berkemeier, B Watts, M Ammann
– Phys Chem Chem Phys
Natural abundance solid-state 33S NMR study of NbS3: applications for battery conversion electrodes.
DM Halat, S Britto, KJ Griffith, E Jónsson, CP Grey
– Chemical communications (Cambridge, England)
Stereocontrolled synthesis as an enabling tool for the configurational assignment of marine polyketide natural products
I Paterson, N Lam
– European Journal of Organic Chemistry
Stereocontrolled synthesis as an enabling tool for the configurational assignment of marine polyketide natural products
I Paterson, N Lam
Optimization of Protein-Ligand Electrostatic Interactions Using An Alchemical Free-Energy Method
AD Wade, DJ Huggins
– Journal of chemical theory and computation
NMR Study of the Degradation Products of Ethylene Carbonate in Silicon-Lithium Ion Batteries.
Y Jin, N-JH Kneusels, CP Grey
– The journal of physical chemistry letters
Para-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation
MT Mihai, BD Williams, RJ Phipps
– J Am Chem Soc
Measuring light scattering and absorption in corals with Inverse Spectroscopic Optical Coherence Tomography (ISOCT): a new tool for non-invasive monitoring.
GLC Spicer, A Eid, D Wangpraseurt, TD Swain, JA Winkelmann, J Yi, M Kühl, LA Marcelino, V Backman
– Scientific reports
Modelling the potential impacts of the recent, unexpected increase in CFC-11 emissions on total column ozone recovery
J Keeble, NL Abraham, AT Archibald, MP Chipperfield, S Dhomse, PT Griffiths, JA Pyle
– Atmospheric Chemistry and Physics
OpenMolcas: From Source Code to Insight.
I Fdez Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, JJ Bao, SI Bokarev, NA Bogdanov, RK Carlson, LF Chibotaru, J Creutzberg, N Dattani, MG Delcey, SS Dong, A Dreuw, L Freitag, LM Frutos, L Gagliardi, F Gendron, A Giussani, L González, G Grell, M Guo, CE Hoyer, M Johansson, S Keller, S Knecht, G Kovačević, E Källman, G Li Manni, M Lundberg, Y Ma, S Mai, JP Malhado, PÅ Malmqvist, P Marquetand, SA Mewes, J Norell, M Olivucci, M Oppel, QM Phung, K Pierloot, F Plasser, M Reiher, AM Sand, I Schapiro, P Sharma, CJ Stein, LK Sørensen, DG Truhlar, M Ugandi, L Ungur, A Valentini, S Vancoillie, V Veryazov, O Weser, TA Wesołowski, P-O Widmark, S Wouters, A Zech, JP Zobel, R Lindh
– Journal of chemical theory and computation
Using tetracysteine-tagged TDP-43 with a biarsenical dye to monitor real-time trafficking in a cell model of Amyotrophic Lateral Sclerosis
JSW Ng, MA Hanspal, NS Matharu, TP Barros, EK Esbjörner, MR Wilson, JJ Yerbury, CM Dobson, JR Kumita
– Biochemistry