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- Currently displaying 1601 - 1620 of 30180 publications
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
Green Carbon
(2024)
2
209
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
(2024)
(doi: 10.17863/CAM.111484)
The diversity ofSNCAtranscripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
Ian Manners (1961-2023): Learning to Fly
Angewandte Chemie International Edition
(2024)
63
e202408692
(doi: 10.1002/anie.202408692)
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)
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
The journal of physical chemistry letters
(2024)
15
6081
(doi: 10.1021/acs.jpclett.4c01030)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
(2024)
(doi: 10.48550/arxiv.2405.20217)
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.
Journal of Cheminformatics
(2024)
16
64
(doi: 10.1186/s13321-024-00861-w)
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
Proceedings of the National Academy of Sciences
(2024)
121
e2316206121
(doi: 10.1073/pnas.2316206121)
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)
3D Printed PEDOT:PSS-based Conducting and Patternable Eutectogel Electrodes for Machine Learning on Textiles
Biomaterials
(2024)
310
122624
Tuning structural modulation and magnetic properties in metal-organic coordination polymers [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$
(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
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)