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- Currently displaying 2381 - 2400 of 29283 publications
Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory.
Annual Review of Physical Chemistry
(2023)
74
1
Understanding surface reactivity, local structure, and lithium-metal dendrite initiation in garnet solid electrolytes
(2023)
(doi: 10.17863/CAM.100640)
Sequence-based prediction of pH-dependent protein solubility using CamSol
Brief Bioinform
(2023)
24
bbad004
(doi: 10.1093/bib/bbad004)
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
(2023)
(doi: 10.5194/acp-2023-42)
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
(2023)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
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)
Furan-based inhibitors of pyruvate dehydrogenase: SAR study, biochemical evaluation and computational analysis.
Organic & biomolecular chemistry
(2023)
21
1755
(doi: 10.1039/d2ob02272a)
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)
Hallucinating functional protein sequences.
Nature biotechnology
(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: 10.1039/d2md90043b)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
(2023)
(doi: 10.48550/arxiv.2301.09931)
Roadmap on chalcogenide photonics
Journal of Physics: Photonics
(2023)
5
012501
(doi: 10.1088/2515-7647/ac9a91)
Chem-map: Profiling drug binding to chromatin in cells
Nat Biotechnol
(2023)
41
1265
(doi: 10.1038/s41587-022-01636-0)
