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- Currently displaying 1841 - 1860 of 30616 publications
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
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
(2024)
(doi: 10.17863/CAM.111484)
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.
The 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.
Science advances
(2024)
10
eadn2208
(doi: 10.1126/sciadv.adn2208)
The diversity of SNCA transcripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
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)
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)
Learning Electronic Polarizations in Aqueous Systems.
J Chem Inf Model
(2024)
64
4426
(doi: 10.1021/acs.jcim.4c00421)
Light management by algal aggregates in living photosynthetic hydrogels.
Proc Natl Acad Sci U S A
(2024)
121
e2316206121
(doi: 10.1073/pnas.2316206121)
Tuning structural modulation and magnetic properties in metal-organic coordination polymers [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$
(2024)
i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
(2024)
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces.
ACS chemical neuroscience
(2024)
15
2296
(doi: 10.1021/acschemneuro.4c00127)
3D Printed PEDOT:PSS-based Conducting and Patternable Eutectogel Electrodes for Machine Learning on Textiles
Biomaterials
(2024)
310
122624
Solutes unmask differences in clustering versus phase separation of FET proteins.
Nature communications
(2024)
15
4408
(doi: 10.1038/s41467-024-48775-3)
Biomolecular condensates sustain pH gradients at equilibrium through charge neutralisation
(2024)
(doi: 10.1101/2024.05.23.595321)
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)
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)