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- Currently displaying 5181 - 5200 of 30651 publications
Decarboxylative Polyfluoroarylation of Alkylcarboxylic Acids
Angew Chem Int Ed Engl
(2021)
60
10557
(doi: 10.1002/anie.202015596)
Carboxylesterase Notum Is a Druggable Target to Modulate Wnt Signaling.
J Med Chem
(2021)
64
4289
(doi: 10.1021/acs.jmedchem.0c01974)
The role of reversible and irreversible covalent chemistry in targeted protein degradation
Cell chemical biology
(2021)
28
952
Stereochemical Control Yields Mucin Mimetic Polymers.
ACS central science
(2021)
7
624
(doi: 10.1021/acscentsci.0c01569)
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)
Force-induced Catastrophes on Energy Landscapes: Mechanochemical Manipulation of Downhill and Uphill Bifurcations Explains Ring-opening Selectivity of Cyclopropanes
(2021)
(doi: 10.48550/arxiv.2103.15517)
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries.
Phys Rev Lett
(2021)
126
136001
Electrically Induced Mixed Valence Increases the Conductivity of Copper Helical Metallopolymers
Adv Mater
(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)
Implicit Solvents for the Polarizable Atomic Multipole AMOEBA Force Field.
J Chem Theory Comput
(2021)
17
2323
(doi: 10.1021/acs.jctc.0c01286)
Calculation of absolute molecular entropies and heat capacities made simple
Chem Sci
(2021)
12
6551
(doi: 10.1039/d1sc00621e)
Computation of the chemical potential and solubility of amorphous solids.
Journal of Chemical Physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
Routes to cubic ice through heterogeneous nucleation.
Proc Natl Acad Sci U S A
(2021)
118
e2025245118
(doi: 10.1073/pnas.2025245118)
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)
2021 roadmap on lithium sulfur batteries
Journal of Physics Energy
(2021)
3
031501
(doi: 10.1088/2515-7655/abdb9a)
Excited state character of Cibalackrot-type compounds interpreted in terms of Hückel-aromaticity: A rationale for singlet fission chromophore design
Chem Sci
(2021)
12
6159
(doi: 10.1039/d1sc00382h)
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)
High-dimensional neural network potentials for solvation: The case of protonated water clusters in helium
(2021)
(doi: 10.48550/arxiv.2103.13123)