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- Currently displaying 4841 - 4860 of 30214 publications
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries.
Physical Review Letters
(2021)
126
136001
K-means landscapes: exploring clustering solution spaces using energy landscape theory
(2021)
(doi: 10.17863/CAM.71072)
Electrically Induced Mixed Valence Increases the Conductivity of Copper Helical Metallopolymers
Advanced materials (Deerfield Beach, Fla.)
(2021)
33
e2100403
(doi: 10.1002/adma.202100403)
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 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
J Chem Theory Comput
(2021)
17
2323
(doi: 10.1021/acs.jctc.0c01286)
Computation of the chemical potential and solubility of amorphous solids
The Journal of Chemical Physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
Calculation of absolute molecular entropies and heat capacities made simple
Chemical Science
(2021)
12
6551
(doi: 10.1039/d1sc00621e)
Routes to cubic ice through heterogeneous nucleation.
Proc Natl Acad Sci U S A
(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)
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)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
(2021)
(doi: 10.48550/arxiv.2103.13123)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice
Brain
(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)
Converged Colored Noise Path Integral Molecular Dynamics Study of the Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
(2021)
(doi: 10.48550/arxiv.2103.13063)
Launching science, society and policy.
Royal Society open science
(2021)
8
210438
(doi: 10.1098/rsos.210438)
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)
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)