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- Currently displaying 41 - 60 of 29307 publications
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.
The Journal of Chemical Physics
(2025)
163
224313
(doi: 10.1063/5.0296997)
A career with a natural interest in total synthesis
Nat Rev Chem
(2025)
10
1
(doi: 10.1038/s41570-025-00787-3)
Electrochemical CO2 Capture by a Quinone-Based Covalent Organic Framework.
Journal of the American Chemical Society
(2025)
147
47036
(doi: 10.1021/jacs.5c12304)
Comparison of protein-glycosaminoglycan interactions in ff14sb/GLYCAM06j and CHARMM36m force fields
(2025)
(doi: 10.26434/chemrxiv-2025-fl9pf)
Inhibition of IRAK4 by microbial trimethylamine blunts metabolic inflammation and ameliorates glycemic control
Nature metabolism
(2025)
7
2531
(doi: 10.1038/s42255-025-01413-8)
Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene.
J Phys Chem A
(2025)
129
11725
(doi: 10.1021/acs.jpca.5c06508)
Modeling biomolecular condensates across scales: atomistic, coarse-grained, and data-driven approaches
Advances in Physics: X
(2025)
10
2592547
High-fidelity human chromosome transfer and elimination
Science
(2025)
390
1038
(doi: 10.1126/science.adv9797)
Monte Carlo methods, 70 years after “Equation of state calculations by fast computing machines” by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
The Journal of chemical physics
(2025)
163
210402
(doi: 10.1063/5.0309018)
Multiscale structure of chromatin condensates explains phase separation and material properties.
Science (New York, N.Y.)
(2025)
390
eadv6588
(doi: 10.1126/science.adv6588)
Protein-protein interactions drive differences in the spatiotemporal dynamics of transcription factors NANOG and SOX2 in naïve pluripotent cells
(2025)
(doi: 10.64898/2025.12.03.691924)
Observation of unique stable nano-assemblies of a lipidated glucagon-like peptide 1 analogue.
Soft Matter
(2025)
21
9152
(doi: 10.1039/d5sm00801h)
MMP-cleavable linker platform for tumour-responsive homo- and heterobivalent antibody–drug conjugates
Chem Sci
(2025)
(doi: 10.1039/d5sc06664f)
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
Nature
(2025)
648
e15
(doi: 10.1038/s41586-025-09872-5)
Heavy mice and lighter things: how solid-state NMR spectroscopy gives a new view of the extracellular matrix
Actualité Chimique
(2025)
508-509
64
Correction to: Neglecting future sporadic volcanic eruptions underestimates climate uncertainty (Communications Earth & Environment, (2025), 6, 1, (236), 10.1038/s43247-025-02208-1)
Communications Earth & Environment
(2025)
6
273
(doi: 10.1038/s43247-025-02257-6)
Functional Group Distribution Shapes Chemical Properties of Degraded Terrestrial and Marine Dissolved Organic Matter.
Environ Sci Technol
(2025)
59
26539
(doi: 10.1021/acs.est.5c01998)
Precise synthesis of spherical aluminium oxo clusters for accurate surface guest recognition
Nature Synthesis
(2025)
1
(doi: 10.1038/s44160-025-00927-z)
Inorganic pyrophosphate disrupts amorphous hydrated bone mineral interfaces in hypophosphatasia
(2025)
(doi: 10.1101/2025.11.24.689921)