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Department of Chemistry

 

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  • Currently displaying 1 - 20 of 20790 publications
Trodusquemine enhances A beta(42) aggregation but suppresses its toxicity by displacing oligomers from cell membranes
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
(2019)
10,
225
Synthesis of C–C, C–N coupled novel substituted dibutyl benzothiazepinone derivatives and evaluation of their thrombin inhibitory activity
CP Baburajeev, CD Mohan, V Pandey, S Rangappa, N Shivalingegowda, L Kalash, S Devaraja, A Bender, PE Lobie, KS Rangappa, Basappa
– Bioorganic chemistry
(2019)
87,
142
Determination of protein structural ensembles using cryo-electron microscopy.
M Bonomi, M Vendruscolo
– Current Opinion in Structural Biology
(2018)
56,
37
Synthesis and encapsulation of V(IV,V) compounds in silica nanoparticles targeting development of antioxidant and antiradical nanomaterials.
E Halevas, CM Nday, D Eleftheriadou, G Jackson, V Psycharis, CP Raptopoulou, DG Reid, K Ypsilantis, G Litsardakis, A Salifoglou
– Journal of inorganic biochemistry
(2019)
194,
180
Role of carbon-rings in polycrystalline GeSb2Te4 phase-change material
G Wang, J Zhou, SR Elliott, Z Sun
– Journal of Alloys and Compounds
(2019)
782,
852
Post-assembly Modification of Phosphine Cages Controls Host–Guest Behavior
CT McTernan, TK Ronson, JR Nitschke
– Journal of the American Chemical Society
jacs.9b02604
Characterizing the Structure and Phase Transition of Li2RuO3 Using Variable-Temperature 17O and 7Li NMR Spectroscopy
PJ Reeves, ID Seymour, KJ Griffith, CP Grey
– Chemistry of Materials
(2019)
31,
2814
Colocalization features for classification of tumors using desorption electrospray ionization mass spectrometry imaging.
P Inglese, G Correia, P Pruski, RC Glen, Z Takats
– Analytical Chemistry
(2019)
acs.analchem.8b05598
Computational advances in combating colloidal aggregation in drug discovery.
D Reker, GJL Bernardes, T Rodrigues
– Nature Chemistry
(2019)
Go-Kit: A Tool To Enable Energy Landscape Exploration of Proteins.
S Neelamraju, DJ Wales, S Gosavi
– Journal of chemical information and modeling
(2019)
acs.jcim.9b00007
Meta‐Nitration of Arenes Bearing Ortho/Para Directing Group(s) via C‐H Borylation
X Li, X Deng, AG Coyne, R Srinivasan
– Chemistry
(2019)
chem.201901633
Satellite-derived sulfur dioxide (SO<sub>2</sub>) emissions from the 2014–2015 Holuhraun eruption (Iceland)
E Carboni, TA Mather, A Schmidt, RG Grainger, MA Pfeffer, I Ialongo, N Theys
– Atmospheric Chemistry and Physics
(2019)
19,
4851
Deprotonation, insertion and isomerisation in the post-functionalisation of tris-pyridyl aluminates
AJ Plajer, S Kopf, AL Colebatch, AD Bond, DS Wright, R García-Rodríguez
– Dalton Transactions
(2019)
The free energy landscape of the oncogene protein E7 of human papillomavirus type 16 reveals a complex interplay between ordered and disordered regions
P Kukic, GM Lo Piccolo, MO Nogueira, DI Svergun, M Vendruscolo, IC Felli, R Pierattelli
– Scientific Reports
(2019)
9,
5822
Evolution of Structure and Lithium Dynamics in LiNi0.8Mn0.1Co0.1O2 (NMC811) Cathodes during Electrochemical Cycling
K Märker, PJ Reeves, C Xu, KJ Griffith, CP Grey
– Chemistry of Materials
(2019)
31,
2545
Determination of the Structural Ensemble of the Molten Globule State of a Protein by Computer Simulations
M Shimizu, Y Kajikawa, K Kuwajima, CM Dobson, Y Okamoto
– Proteins: Structure, Function, and Bioinformatics
(2019)
prot.25688
Metal selenide photocatalysts for visible-light-driven Z-scheme pure water splitting
S Chen, G Ma, Q Wang, S Sun, T Hisatomi, T Higashi, Z Wang, M Nakabayashi, N Shibata, Z Pan, T Hayashi, T Minegishi, T Takata, K Domen
– Journal of Materials Chemistry A
(2019)
7,
7415
Unraveling the Large Deviation Statistics of Markovian Open Quantum Systems
F Carollo, RL Jack, JP Garrahan
– Physical Review Letters
(2019)
122,
130605
Multitask Modeling with Confidence Using Matrix Factorization and Conformal Prediction
U Norinder, F Svensson
– Journal of Chemical Information and Modeling
(2019)
acs.jcim.9b00027
Different soluble aggregates of Aβ42 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
(2019)
10,
1541