Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 4841 - 4860 of 30213 publications
K-means landscapes: exploring clustering solution spaces using energy landscape theory
(2021)
(doi: 10.17863/CAM.71072)
Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Amides.
J Am Chem Soc
(2021)
143
4928
(doi: 10.1021/jacs.1c01556)
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)
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 ed. in English)
(2021)
60
10919
(doi: 10.1002/anie.202015834)
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)
Computation of the chemical potential and solubility of amorphous solids.
The Journal of Chemical Physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
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.
Nat Struct Mol Biol
(2021)
28
365
(doi: 10.1038/s41594-021-00565-x)
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)
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)
CSPα reduces aggregates and rescues striatal dopamine release in α-synuclein transgenic mice
Brain
(2021)
144
1661
(doi: 10.1093/brain/awab076)
Launching science, society and policy.
Royal Society Open Science
(2021)
8
210438
(doi: 10.17863/CAM.71010)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
(2021)
(doi: 10.48550/arxiv.2103.13123)
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)
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)