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- Currently displaying 4161 - 4180 of 29858 publications
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)
Microscopic Kinetics Pathway of Salt Crystallization in Graphene Nanocapillaries
Physical Review Letters
(2021)
126
136001
Hydrogen Atom Transfer-Driven Enantioselective Minisci Reaction of Amides
Journal of the American Chemical Society
(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)
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 Naïve Protein Scaffold Generates Artificial Metalloenzymes Catalysing Transfer Hydrogenation.
Angewandte Chemie International Edition
(2021)
60
10919
(doi: 10.1002/anie.202015834)
Electrically Induced Mixed Valence Increases the Conductivity of Copper Helical Metallopolymers.
Advanced materials (Deerfield Beach, Fla.)
(2021)
33
2100403
(doi: 10.1002/adma.202100403)
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
Nature structural & molecular biology
(2021)
28
365
(doi: 10.1038/s41594-021-00565-x)
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)
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.
The Journal of Chemical Physics
(2021)
154
124502
(doi: 10.1063/5.0038955)
Routes to cubic ice through heterogeneous nucleation
Proceedings of the National Academy of Sciences
(2021)
118
e2025245118
(doi: 10.1073/pnas.2025245118)
Converged Colored Noise Path Integral Molecular Dynamics Study of the
Zundel Cation down to Ultra-low Temperatures at Coupled Cluster Accuracy
(2021)
High-dimensional neural network potentials for solvation: The case of
protonated water clusters in helium
(2021)