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Department of Chemistry

 

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  • Currently displaying 1 - 20 of 20972 publications
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
– Nature Communications
(2019)
10,
225
Bulk synthesis of graphene-like materials possessing turbostratic graphite and graphene nanodomains via combustion of magnesium in carbon dioxide
TH Kim, CR Merritt, C Ducati, AD Bond, N Bampos, CL Brown
– Carbon
(2019)
149,
582
Focused surface acoustic waves induced microdroplets generation and its application for microgels
S Jin, X Wei, Z Liu, J Ren, Z Jiang, C Abell, Z Yu
– Sensors and Actuators B: Chemical
(2019)
291,
1
Field-Programmable Gate Arrays and Quantum Monte Carlo: Power Efficient Co-processing for Scalable High-Performance Computing
S Cardamone, JRR Kimmitt, HGA Burton, TJ Todman, S Li, W Luk, AJW Thom
– International Journal of Quantum Chemistry
(2019)
119,
e25853
Determination of protein structural ensembles using cryo-electron microscopy
M Bonomi, M Vendruscolo
– Curr Opin Struct Biol
(2018)
56,
37
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
Effects of α-tubulin acetylation on microtubule structure and stability
L Eshun-Wilson, R Zhang, D Portran, MV Nachury, DB Toso, T Löhr, M Vendruscolo, M Bonomi, JS Fraser, E Nogales
– Proc Natl Acad Sci U S A
(2019)
116,
10366
Streamlined Synthesis of C(sp3)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.
NJ Flodén, A Trowbridge, D Willcox, SM Walton, Y Kim, MJ Gaunt
– J Am Chem Soc
(2019)
jacs.9b03372
Dissecting celastrol with machine learning to unveil dark pharmacology
T Rodrigues, BP de Almeida, NL Barbosa-Morais, GJL Bernardes
– Chemical Communications
(2019)
Preconditioning and perturbative estimators in full configuration interaction quantum Monte Carlo.
NS Blunt, AJW Thom, CJC Scott
– J Chem Theory Comput
(2019)
acs.jctc.9b00049
Multi-site binding of drugs and natural products in an entropically- favorable, heteroleptic receptor
FJ Rizzuto, JP Carpenter, JR Nitschke
– Journal of the American Chemical Society
(2019)
jacs.9b03776
Scalable electrochromic nano-pixels using plasmonics
J Peng, H-H Jeong, Q Lin, S Cormier, H-L Liang, MFL De Volder, S Vignolini, JJ Baumberg
– Sci Adv
(2019)
5,
eaaw2205
Quantification of Particle-bound Organic Radicals in Secondary Organic Aerosol.
S Campbell, S Stevanovic, B Miljevic, SE Bottle, ZD Ristovski, M Kalberer
– Environ Sci Technol
(2019)
acs.est.9b00825
The toxicity of misfolded protein oligomers is independent of their secondary structure.
M Vivoli Vega, R Cascella, SW Chen, G Fusco, A De Simone, CM Dobson, C Cecchi, F Chiti
– ACS chemical biology
(2019)
acschembio.9b00324
Computational Fluorine Scanning Using Free-Energy Perturbation.
AD Wade, A Rizzi, Y Wang, DJ Huggins
– Journal of Chemical Information and Modeling
(2019)
acs.jcim.9b00228
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery
OP Watson, I Cortes-Ciriano, AR Taylor, JA Watson
– Bioinformatics
(2019)
Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs.
AL Amorim, MM Peterle, A Guerreiro, DF Coimbra, RS Heying, GF Caramori, AL Braga, AJ Bortoluzzi, A Neves, GJL Bernardes, RA Peralta
– Dalton transactions (Cambridge, England : 2003)
(2019)
48,
5574
Large-Scale Study of Hydration Environments through Hydration Sites
BWJ Irwin, S Vukovic, MC Payne, DJ Huggins
– J Phys Chem B
(2019)
123,
4220
Impact of anthropogenic and biogenic sources on the seasonal variation in the molecular composition of urban organic aerosols: A field and laboratory study using ultra-high-resolution mass spectrometry
K Daellenbach, I Kourtchev, A Vogel, E Bruns, J Jiang, T Petäjä, JLL Jaffrezo, S Aksoyoglu, M Kalberer, U Baltensperger, I El Haddad, SH Prevot
– Atmospheric Chemistry and Physics
(2019)
19,
5973
Extrinsic Conditions Influence the Self-Association and Structure of IF1, the Regulatory Protein of Mitochondrial ATP Synthase
V Boreikaite, BIM Wicky, IN Watt, J Clarke, JE Walker
– Proceedings of the National Academy of Sciences
(2019)
116,
10354