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- Currently displaying 3621 - 3640 of 31556 publications
Direct calculation of the planar NaCl-aqueous solution interfacial free energy at the solubility limit
(2023)
(doi: 10.48550/arXiv.2208.08322)
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)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
(2023)
Silver nanostructure-modified graphite electrode for in-operando SERRS investigation of iron porphyrins during high-potential electrocatalysis
The Journal of chemical physics
(2023)
158
044201
(doi: 10.1063/5.0136333)
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 Thiamine Antagonists for Pyruvate Dehydrogenase: SAR Investigation, Biochemical Evaluation and Computational Analysis
Org Biomol Chem
(2023)
21
1755
(doi: 10.1039/D2OB02272A)
Cation disorder dominates the defect chemistry of high-voltage LiMn1.5Ni0.5O4 (LMNO) spinel cathodes
(2023)
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)
MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields
(2023)
(doi: 10.48550/arxiv.2206.07697)
Hallucinating functional protein sequences
Nature Biotechnology
(2023)
41
1073
(doi: 10.1038/s41587-022-01634-2)
Thiamine analogues as inhibitors of pyruvate dehydrogenase and discovery of a thiamine analogue with non-thiamine related antiplasmodial activity (vol 13, pg 817, 2022)
RSC Med Chem
(2023)
14
190
(doi: 10.17863/CAM.91768)
Convergence of Møller-Plesset perturbation theory for excited reference states
(2023)
(doi: 10.48550/arxiv.2301.10539)
Revisiting the Ramachandran plot based on statistical analysis of static and dynamic characteristics of protein structures
Journal of Structural Biology
(2023)
215
107939
(doi: 10.1016/j.jsb.2023.107939)
