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- Currently displaying 4241 - 4260 of 29959 publications
K-means landscapes: exploring clustering solution spaces using energy landscape theory
(2021)
(doi: 10.17863/CAM.71072)
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation
Angewandte Chemie
(2021)
133
11014
(doi: 10.1002/ange.202015834)
Controlled Ligand Exchange Between Ruthenium Organometallic Cofactor Precursors and a Naive Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation
Angewandte Chemie (International ed. in English)
(2021)
60
10919
(doi: 10.1002/anie.202015834)
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field
J Chem Theory Comput
(2021)
17
2323
(doi: 10.1021/acs.jctc.0c01286)
Electrically Induced Mixed Valence Increases the Conductivity of Copper Helical Metallopolymers
Advanced materials (Deerfield Beach, Fla.)
(2021)
33
2100403
(doi: 10.1002/adma.202100403)
Scaling analysis reveals the mechanism and rates of prion replication in vivo.
Nature Structural & Molecular Biology
(2021)
28
365
(doi: 10.1038/s41594-021-00565-x)
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)
Calculation of absolute molecular entropies and heat capacities made simple.
Chemical Science
(2021)
12
6551
(doi: 10.1039/d1sc00621e)
Excited state character of Cibalackrot-type compounds interpreted in terms of Huckel-aromaticity: a rationale for singlet fission chromophore design
Chemical Science
(2021)
12
6159
(doi: 10.1039/d1sc00382h)
Computation of the chemical potential and solubility of amorphous solids.
The Journal of chemical physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
The role of clearance mechanisms in the kinetics of pathological protein aggregation involved in neurodegenerative diseases.
The Journal of Chemical Physics
(2021)
154
125101
(doi: 10.1063/5.0031650)
High-dimensional neural network potentials for solvation: The case of
protonated water clusters in helium
(2021)
From Protein Building Blocks to Functional Materials
ACS Nano
(2021)
15
5819
(doi: 10.1021/acsnano.0c08510)
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
(2021)
144
1661
(doi: 10.1093/brain/awab076)
Shear-mediated sol-gel transition of regenerated silk allows the formation of Janus-like microgels.
Scientific Reports
(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
Front Cell Dev Biol
(2021)
9
552549
(doi: 10.3389/fcell.2021.552549)