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- Currently displaying 1241 - 1260 of 29293 publications
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 of SNCA transcripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
Journal of Physical Chemistry Letters
(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)
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
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Chemical Communications
(2024)
60
6528
(doi: 10.1039/d4cc01086h)
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)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
Local Structure and Dynamics in MPt(CN)6 Prussian Blue Analogues
Chemistry of materials : a publication of the American Chemical Society
(2024)
36
5796
Light management by algal aggregates in living photosynthetic hydrogels.
Proceedings of the National Academy of Sciences of the United States of America
(2024)
121
e2316206121
(doi: 10.1073/pnas.2316206121)
Learning Electronic Polarizations in Aqueous Systems.
J Chem Inf Model
(2024)
64
4426
(doi: 10.1021/acs.jcim.4c00421)
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces.
ACS Chem Neurosci
(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)
Solutes unmask differences in clustering versus phase separation of FET proteins
Nat Commun
(2024)
15
4408
(doi: 10.1038/s41467-024-48775-3)
An evolutionarily conserved mechanism controls reversible amyloids of pyruvate kinase via pH-sensing regions.
Developmental cell
(2024)
59
1876
(doi: 10.1016/j.devcel.2024.04.018)
Biomolecular condensates sustain pH gradients at equilibrium through charge neutralisation
(2024)
(doi: 10.1101/2024.05.23.595321)
Emerging Mesoscale Flows and Chaotic Advection in Dense Active Matter.
Phys Rev Lett
(2024)
132
218301