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- Currently displaying 4501 - 4520 of 29618 publications
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation.
Angewandte Chemie International Edition
(2021)
60
10919
(doi: 10.1002/anie.202015834)
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.
Journal of chemical theory and computation
(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)
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
Chem Sci
(2021)
12
6551
(doi: 10.1039/d1sc00621e)
Routes to cubic ice through heterogeneous nucleation.
Proceedings of the National Academy of Sciences of the United States of America
(2021)
118
e2025245118
(doi: 10.1073/pnas.2025245118)
Computation of the chemical potential and solubility of amorphous solids.
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)
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases.
Journal of Chemical Physics
(2021)
154
125101
(doi: 10.1063/5.0031650)
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)
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)
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
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)
Comparative Studies in the A30P and A53T α-Synuclein C. elegans Strains to Investigate the Molecular Origins of Parkinson's Disease.
Front Cell Dev Biol
(2021)
9
552549
(doi: 10.3389/fcell.2021.552549)
Selective CRAF Inhibition Elicits Transactivation.
J Am Chem Soc
(2021)
143
4600
(doi: 10.1021/jacs.0c11958)
Rapid Recombination by Cadmium Vacancies in CdTe.
ACS energy letters
(2021)
6
1392