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- Currently displaying 421 - 440 of 30675 publications
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)
Global properties of the energy landscape: a testing and training arena for machine learned potentials
Npj Computational Materials
(2025)
12
9
(doi: 10.1038/s41524-025-01878-x)
MMP-cleavable linker platform for tumour-responsive homo- and heterobivalent antibody-drug conjugates.
Chem Sci
(2025)
17
2722
(doi: 10.1039/d5sc06664f)
Observation of unique stable nano-assemblies of a lipidated glucagon-like peptide 1 analogue.
Soft Matter
(2025)
21
9152
(doi: 10.1039/d5sm00801h)
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)
Improving nanobody structure prediction with self-distillation
(2025)
(doi: 10.64898/2025.12.01.691162)
Two-dimensional electronic spectra from trajectory-based dynamics: Pure-state Ehrenfest, spin-mapping, and mean classical path approaches
The Journal of Chemical Physics
(2025)
163
214111
(doi: 10.1063/5.0299204)
The first-principles phase diagram of monolayer nanoconfined water (Vol 609, pg 512, 2022)
Nature
(2025)
648
e15
(doi: 10.1038/s41586-025-09872-5)
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 control of branch unit location and its impact on gene delivery
Chemical Engineering Journal
(2025)
526
170828
(doi: 10.1016/j.cej.2025.170828)
Heavy mice and lighter things: how solid-state NMR spectroscopy gives a new view of the extracellular matrix
Actualité Chimique
(2025)
508-509
64
Defect-Limited Efficiency of Pnictogen Chalcohalide Solar Cells
(2025)
(doi: 10.48550/arxiv.2512.01531)
SMOLM-LFM: ratiometric single molecule orientation without polarizers
(2025)
(doi: 10.1101/2025.11.26.690201)
Accelerating CCSD(T) on Graphical Processing Units (GPUs)
(2025)
Dynamic Modulation of the Diradical Nature of an Overcrowded Phosphaquinoid
(2025)
(doi: 10.26434/chemrxiv-2025-6kh5d)
Out-of-time correlation functions in single-body systems
(2025)
Precise synthesis of spherical aluminium oxo clusters for accurate surface guest recognition
Nature Synthesis
(2025)
5
1
(doi: 10.1038/s44160-025-00927-z)
Mechanisms for the Formation of Active Sites in Single-Atom Alloys
(2025)
(doi: 10.48550/arxiv.2511.22725)
Inorganic pyrophosphate disrupts amorphous hydrated bone mineral interfaces in hypophosphatasia
(2025)
(doi: 10.1101/2025.11.24.689921)