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- Currently displaying 2321 - 2340 of 29853 publications
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
Advanced Materials Technologies
(2023)
8
2201324
(doi: 10.1002/admt.202201324)
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
The Journal of Physical Chemistry C
(2023)
127
3032
(doi: 10.1021/acs.jpcc.2c07263)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates
of water
(2023)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
(2023)
(doi: 10.48550/arxiv.2301.11731)
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis.
Organic & Biomolecular Chemistry
(2023)
21
1755
(doi: 10.1039/d2ob02272a)
Hallucinating functional protein sequences.
Nat Biotechnol
(2023)
41
1073
(doi: 10.1038/s41587-022-01634-2)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
Correction: Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity.
RSC medicinal chemistry
(2023)
14
190
(doi: 10.17863/CAM.91768)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
(2023)
(doi: 10.48550/arxiv.2301.09931)
Cooperative Initiation in a Dinuclear Indium Complex for CO2 Epoxide Copolymerization.
Inorganic chemistry
(2023)
62
1968
Soluble Diphenylhexatriene Dimers for Intramolecular Singlet Fission with High Triplet Energy.
Journal of the American Chemical Society
(2023)
145
2499
(doi: 10.1021/jacs.2c12060)
Chem-map profiles drug binding to chromatin in cells
Nat Biotechnol
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
Roadmap on chalcogenide photonics
Journal of Physics Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)
Disintegrate (DIN) Theory Enabling Precision Engineering of Proteins.
ACS Central Science
(2023)
9
137
(doi: 10.1021/acscentsci.2c01455)
Molecular Dynamics with Chemical AccuracyAlkane Adsorption in Acidic Zeolites
ACS Catalysis
(2023)
13
2011
(doi: 10.1021/acscatal.2c05493)
Excess mortality associated with high ozone exposure: A national cohort study in China.
Environmental science and ecotechnology
(2023)
15
100241
(doi: 10.1016/j.ese.2023.100241)
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction.
Journal of the American Chemical Society
(2023)
145
2354
(doi: 10.1021/jacs.2c11265)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
(2023)
(doi: 10.1101/2023.01.19.524720)
Bioprinting microporous functional living materials from protein-based core-shell microgels
Nature communications
(2023)
14
322
(doi: 10.1038/s41467-022-35140-5)