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  • Currently displaying 4541 - 4560 of 29681 publications
Author(s)
Publication title
Journal Name
Publication year
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field
RA Corrigan, G Qi, AC Thiel, JR Lynn, BD Walker, TL Casavant, L Lagardere, J-P Piquemal, JW Ponder, P Ren, MJ Schnieders
J Chem Theory Comput
(2021)
17
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
Nat Struct Mol Biol
(2021)
28
Routes to cubic ice through heterogeneous nucleation
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2021)
118
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
Chemical science
(2021)
12
Calculation of absolute molecular entropies and heat capacities made simple.
P Pracht, S Grimme
Chemical Science
(2021)
12
2021 roadmap on lithium sulfur batteries
JB Robinson, K Xi, RV Kumar, AC Ferrari, H Au, M-M Titirici, A Parra-Puerto, A Kucernak, SDS Fitch, N Garcia-Araez, ZL Brown, M Pasta, L Furness, AJ Kibler, DA Walsh, LR Johnson, C Holc, GN Newton, NR Champness, F Markoulidis, C Crean, RCT Slade, EI Andritsos, Q Cai, S Babar, T Zhang, C Lekakou, N Kulkarni, AJE Rettie, R Jervis, M Cornish, M Marinescu, G Offer, Z Li, L Bird, CP Grey, M Chhowalla, D Di Lecce, RE Owen, TS Miller, DJL Brett, S Liatard, D Ainsworth, PR Shearing
Journal of Physics Energy
(2021)
3
Computation of the chemical potential and solubility of amorphous solids.
HA Vinutha, D Frenkel
The Journal of chemical physics
(2021)
154
Launching science, society and policy.
A Smith, JKM Sanders
R Soc Open Sci
(2021)
8
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)
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
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases
TB Thompson, G Meisl, TPJ Knowles, A Goriely
J Chem Phys
(2021)
154
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
C Schran, F Uhl, J Behler, D Marx
(2021)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels.
Z Toprakcioglu, TPJ Knowles
Sci Rep
(2021)
11
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
Frontiers in Cell and Developmental Biology
(2021)
9
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
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
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
Rapid Recombination by Cadmium Vacancies in CdTe.
SR Kavanagh, A Walsh, DO Scanlon
ACS Energy Lett
(2021)
6