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  • Currently displaying 1781 - 1800 of 29245 publications
Author(s)
Publication title
Journal Name
Publication year
Pharmacological inhibition of α-synuclein aggregation within liquid condensates
M Vendruscolo, S Dada, Z Toprakcioglu, M Hardenberg, M Cali, L Mrugalla, O Morris, A Roentgen, T Knowles
(2023)
Evaluation of Structural and Compositional Changes of a Model Monoaromatic Hydrocarbon in a Benchtop Hydrocracker Using GC, FTIR, and NMR Spectroscopy
D Puhan, MTL Casford, PB Davies
ACS Omega
(2023)
8
Design and Synthesis of Antimycobacterial Agents
M Pickering
(2023)
Metal–Organic Framework Supercapacitors: Challenges and Opportunities
S Shin, JW Gittins, CJ Balhatchet, A Walsh, AC Forse
Advanced Functional Materials
(2023)
34
Asymmetrically Functionalized Electron‐Deficient π‐Conjugated System for Printed Single‐Crystalline Organic Electronics
CP Yu, S Kumagai, M Tsutsumi, T Kurosawa, H Ishii, G Watanabe, D Hashizume, H Sugiura, Y Tani, T Ise, T Watanabe, H Sato, J Takeya, T Okamoto
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
(2023)
10
Ab initio studies of the impact of the Debye-Waller factor on the structural and dynamical properties of amorphous semiconductors: The case of a -Si
D Dahal, R Atta-Fynn, SR Elliott, P Biswas
Physical Review B
(2023)
108
Methyl radical chemistry in non-oxidative methane activation over metal single sites.
X Huang, D Eggart, G Qin, BB Sarma, A Gaur, J Yang, Y Pan, M Li, J Hao, H Yu, A Zimina, X Guo, J Xiao, J-D Grunwaldt, X Pan, X Bao
Nature Communications
(2023)
14
The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A
C Olivieri, Y Wang, C Walker, MV Subrahmanian, KN Ha, DA Bernlohr, J Gao, C Camilloni, M Vendruscolo, SS Taylor, G Veglia
bioRxiv
(2023)
4
MAVEN: compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny.
L Hosseini-Gerami, R Hernansaiz Ballesteros, A Liu, H Broughton, DA Collier, A Bender
BMC bioinformatics
(2023)
24
Platinum-based nanodendrites as glucose oxidase-mimicking surrogates
JI Garcia-Peiro, J Bonet-Aleta, ML Tamayo-Fraile, JL Hueso, J Santamaria
Nanoscale
(2023)
15
Weakening of springtime Arctic ozone depletion with climate change
M Friedel, G Chiodo, T Sukhodolov, J Keeble, T Peter, S Seeber, A Stenke, H Akiyoshi, E Rozanov, D Plummer, P Jöckel, G Zeng, O Morgenstern, B Josse
Atmospheric Chemistry and Physics
(2023)
23
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model.
KM Herman, AJ Stone, SS Xantheas
Journal of Chemical Theory and Computation
(2023)
19
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
S Oswald, M Bock, HA Gasteiger
Journal of The Electrochemical Society
(2023)
170
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid-β
Z Toprakcioglu, AK Jayaram, TPJ Knowles
(2023)
Global analysis of energy landscapes for materials modeling: A test case for C60.
G Csányi, JWR Morgan, DJ Wales
The Journal of chemical physics
(2023)
159
Energy landscapes for proteins described by the UNRES coarse-grained potential.
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
Biophysical chemistry
(2023)
303
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
Journal of hazardous materials
(2023)
460
Fully First-Principles Surface Spectroscopy with Machine Learning.
Y Litman, J Lan, Y Nagata, DM Wilkins
Journal of Physical Chemistry Letters
(2023)
14
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108