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- Currently displaying 4541 - 4560 of 29681 publications
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field
J Chem Theory Comput
(2021)
17
2323
(doi: 10.1021/acs.jctc.0c01286)
Scaling analysis reveals the mechanism and rates of prion replication in vivo
Nat Struct Mol Biol
(2021)
28
365
(doi: 10.1038/s41594-021-00565-x)
Routes to cubic ice through heterogeneous nucleation
Proceedings of the National Academy of Sciences
(2021)
118
e2025245118
(doi: 10.1073/pnas.2025245118)
Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: A rationale for singlet fission chromophore design
Chemical science
(2021)
12
6159
(doi: 10.1039/d1sc00382h)
Calculation of absolute molecular entropies and heat capacities made simple.
Chemical Science
(2021)
12
6551
(doi: 10.1039/d1sc00621e)
2021 roadmap on lithium sulfur batteries
Journal of Physics Energy
(2021)
3
031501
(doi: 10.1088/2515-7655/abdb9a)
Computation of the chemical potential and solubility of amorphous solids.
The Journal of chemical physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
(2021)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice.
Brain : a journal of neurology
(2021)
144
1661
(doi: 10.1093/brain/awab076)
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases
J Chem Phys
(2021)
154
125101
(doi: 10.1063/5.0031650)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
(2021)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels.
Sci Rep
(2021)
11
6673
(doi: 10.1038/s41598-021-85199-1)
Comparative Studies in the A30P and A53T α-Synuclein C. elegans Strains to Investigate the Molecular Origins of Parkinson's Disease.
Frontiers in Cell and Developmental Biology
(2021)
9
552549
(doi: 10.3389/fcell.2021.552549)
The release of toxic oligomers from α-synuclein fibrils induces dysfunction in neuronal cells
Nature communications
(2021)
12
1814
(doi: 10.1038/s41467-021-21937-3)
Selective CRAF Inhibition Elicits Transactivation.
J Am Chem Soc
(2021)
143
4600
(doi: 10.1021/jacs.0c11958)
2D Constraint Modifies Packing Behaviour: A Halobenzene Monolayer with X3 Halogen-Bonding Motif
Molecular Physics: An International Journal at the Interface Between Chemistry and Physics
(2021)
119
e1900940
Experimental determination of Li diffusivity in LLZO using isotopic exchange and FIB-SIMS
Journal of Physics: Energy
(2021)
3
034001
(doi: 10.1088/2515-7655/abe2f7)
Rapid Recombination by Cadmium Vacancies in CdTe.
ACS Energy Lett
(2021)
6
1392