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- Currently displaying 1601 - 1620 of 30196 publications
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide‑1 Monomers
J Phys Chem B
(2024)
128
5601
(doi: 10.1021/acs.jpcb.4c01794)
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 & interfaces
(2024)
16
29844
(doi: 10.1021/acsami.4c04336)
Energy landscapes for the quantum approximate optimization algorithm
Physical Review A (PRA)
(2024)
109
062602
(doi: 10.1103/physreva.109.062602)
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)
Ian Manners (1961-2023): Learning to Fly
Angewandte Chemie International Edition
(2024)
63
e202408692
(doi: 10.1002/anie.202408692)
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)
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
(2024)
(doi: 10.17863/CAM.111484)
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)
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of Fe II 6 L 6 and Fe II 8 L 8 Antiprisms
Ccs Chemistry
(2024)
6
2411
The diversity ofSNCAtranscripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Chemical Communications
(2024)
60
6528
(doi: 10.1039/d4cc01086h)
Local Structure and Dynamics in MPt(CN)6 Prussian Blue Analogues.
Chemistry of materials : a publication of the American Chemical Society
(2024)
36
5796
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.
J Cheminform
(2024)
16
64
(doi: 10.1186/s13321-024-00861-w)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
Light management by algal aggregates in living photosynthetic hydrogels.
Proc Natl Acad Sci U S A
(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)
Tuning structural modulation and magnetic properties in metal-organic coordination polymers [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$
(2024)
3D printed PEDOT:PSS-based conducting and patternable eutectogel electrodes for machine learning on textiles.
Biomaterials
(2024)
310
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