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- Currently displaying 801 - 820 of 29394 publications
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
(2024)
(doi: 10.26434/chemrxiv-2024-kwnrh)
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide-1 Monomers
– J Phys Chem B
(2024)
128,
5601
(doi: 10.1021/acs.jpcb.4c01794)
Energy landscapes for the quantum approximate optimization algorithm
– Physical Review A (PRA)
(2024)
109,
062602
(doi: 10.1103/PhysRevA.109.062602)
Nanomedicine Targeting Cuproplasia in Cancer: Labile Copper Sequestration Using Polydopamine Particles Blocks Tumor Growth In Vivo through Altering Metabolism and Redox Homeostasis.
– ACS Applied Materials and Interfaces
(2024)
16,
29844
(doi: 10.1021/acsami.4c04336)
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
– Green Carbon
(2024)
2,
209
Co-aggregation with Apolipoprotein E modulates the function of Amyloid-β in Alzheimer's disease.
– Nature Communications
(2024)
15,
4695
(doi: 10.1038/s41467-024-49028-z)
The diversity ofSNCAtranscripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
(2024)
(doi: 10.17863/CAM.111484)
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of FeII6L6 and FeII8L8 Antiprisms
– CCS Chemistry
(2024)
6,
2411
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
– J Phys Chem Lett
(2024)
15,
6081
(doi: 10.1021/acs.jpclett.4c01030)
Influence of point mutations on PR65 conformational adaptability: Insights from molecular simulations and nanoaperture optical tweezers.
– Sci Adv
(2024)
10,
eadn2208
(doi: 10.1126/sciadv.adn2208)
Local Structure and Dynamics in MPt(CN)6 Prussian Blue Analogues
– Chemistry of materials : a publication of the American Chemical Society
(2024)
36,
5796
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
– Chemical Communications
(2024)
60,
6528
(doi: 10.1039/d4cc01086h)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design
– Journal of Cheminformatics
(2024)
16,
64
(doi: 10.1186/s13321-024-00861-w)
Light management by algal aggregates in living photosynthetic hydrogels.
– Proceedings of the National Academy of Sciences
(2024)
121,
e2316206121
(doi: 10.1073/pnas.2316206121)
Learning Electronic Polarizations in Aqueous Systems
– Journal of chemical information and modeling
(2024)
64,
4426
(doi: 10.1021/acs.jcim.4c00421)
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces
– ACS chemical neuroscience
(2024)
15,
2296
(doi: 10.1021/acschemneuro.4c00127)
i-PI 3.0: a flexible and efficient framework for advanced atomistic
simulations
(2024)
Palladium catalysts supported on biodegradable urea-based polymers in synthesis with CO – Part B
– Catalysis Today
(2024)
440,
114831
(doi: 10.1016/j.cattod.2024.114831)