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  • Currently displaying 5161 - 5180 of 30617 publications
Author(s)
Publication title
Journal Name
Publication year
Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: A rationale for singlet fission chromophore design
W Zeng, O El Bakouri, DW Szczepanik, H Bronstein, H Ottosson
Chem Sci
(2021)
12
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
Scaling analysis reveals the mechanism and rates of prion replication in vivo
G Meisl, T Kurt, I Condado-Morales, C Bett, S Sorce, M Nuvolone, TCT Michaels, D Heinzer, M Avar, SIA Cohen, S Hornemann, A Aguzzi, CM Dobson, CJ Sigurdson, TPJ Knowles
Nature Structural and Molecular Biology
(2021)
28
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
Journal of Chemical Physics
(2021)
154
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
Chem Sci
(2021)
12
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
The Chemistry of Branched Condensed Phosphates
T Dürr, D Qiu, V eisenbeis, N Steck, M Häner, A Hofer, A Mayer, J Siegel, K Baldridge, H Jessen
(2021)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice
L Caló, E Hidari, M Wegrzynowicz, JW Dalley, BL Schneider, M Podgajna, O Anichtchik, E Carlson, D Klenerman, MG Spillantini
Brain : a journal of neurology
(2021)
144
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
C Schran, F Brieuc, D Marx
(2021)
Launching science, society and policy
A Smith, JKM Sanders
Royal Society open science
(2021)
8
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases
TB Thompson, G Meisl, TPJ Knowles, A Goriely
Journal of Chemical Physics
(2021)
154
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels.
Z Toprakcioglu, TPJ Knowles
Scientific reports
(2021)
11
The release of toxic oligomers from α-synuclein fibrils induces dysfunction in neuronal cells
R Cascella, SW Chen, A Bigi, JD Camino, CK Xu, CM Dobson, F Chiti, N Cremades, C Cecchi
Nature Communications
(2021)
12
Comparative Studies in the A30P and A53T α-Synuclein C. elegans Strains to Investigate the Molecular Origins of Parkinson's Disease.
M Perni, A van der Goot, R Limbocker, TJ van Ham, FA Aprile, CK Xu, P Flagmeier, K Thijssen, P Sormanni, G Fusco, SW Chen, PK Challa, JB Kirkegaard, RF Laine, KY Ma, MBD Müller, T Sinnige, JR Kumita, SIA Cohen, R Seinstra, GS Kaminski Schierle, CF Kaminski, D Barbut, A De Simone, TPJ Knowles, M Zasloff, EAA Nollen, M Vendruscolo, CM Dobson
Front Cell Dev Biol
(2021)
9
Selective CRAF Inhibition Elicits Transactivation
CW Morgan, IL Dale, AP Thomas, J Hunt, JW Chin
J Am Chem Soc
(2021)
143
2D constraint modifies packing behaviour: a halobenzene monolayer with X3 halogen-bonding motif.
JA Davidson, SJ Jenkins, F Gorrec, SM Clarke
Molecular Physics: An International Journal at the Interface Between Chemistry and Physics
(2021)
119
Modeling multi-species RNA modification through multi-task curriculum learning.
Y Xiong, X He, D Zhao, T Tian, L Hong, T Jiang, J Zeng
Nucleic Acids Research
(2021)
49
Rapid Recombination by Cadmium Vacancies in CdTe.
SR Kavanagh, A Walsh, DO Scanlon
ACS energy letters
(2021)
6
Experimental determination of Li diffusivity in LLZO using isotopic exchange and FIB-SIMS
RH Brugge, RJ Chater, JA Kilner, A Aguadero
Journal of Physics: Energy
(2021)
3
On the Solvation of Redox Mediators and Implications for their Reactivity in Li-Air Batteries
E Jónsson, JHJ Ellison, E Wang, V Kunz, T Liu, I Temprano, CP Grey
Journal of The Electrochemical Society
(2021)
168