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- Currently displaying 2021 - 2040 of 30949 publications
Design of a bispecific antibody to block ironendocytosis-driven metastasis
FEBS OPEN BIO
(2024)
14
285
Effects of aminosterols and berberine on the structural and dynamical properties of biological membranes against the action of misfolded protein oligomers
FEBS OPEN BIO
(2024)
14
356
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)
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
Ian Manners (1961–2023): Learning to Fly
Angewandte Chemie International Edition
(2024)
63
e202408692
(doi: 10.1002/anie.202408692)
The diversity of SNCA transcripts in neurons, and its impact on antisense oligonucleotide therapeutics
(2024)
(doi: 10.1101/2024.05.30.596437)
Influence of point mutations on PR65 conformational adaptability: Insights from molecular simulations and nanoaperture optical tweezers
Science Advances
(2024)
(doi: 10.1126/sciadv.adn2208)
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
(2024)
(doi: 10.17863/CAM.111484)
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)
Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface
Electronic Structure
(2024)
6
025006
(doi: 10.1088/2516-1075/ad4d46)
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
Chem Mater
(2024)
36
5796
Manganese( ii ) promotes prebiotically plausible non-enzymatic RNA ligation reactions †
Chemical Communications
(2024)
60
6528
(doi: 10.1039/d4cc01086h)
Learning Electronic Polarizations in Aqueous Systems
Journal of chemical information and modeling
(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 of the United States of America
(2024)
121
e2316206121
(doi: 10.1073/pnas.2316206121)
3D printed PEDOT:PSS-based conducting and patternable eutectogel electrodes for machine learning on textiles.
Biomaterials
(2024)
310
122624
i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
(2024)
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces
ACS Chem Neurosci
(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)
An evolutionarily conserved mechanism controls reversible amyloids of pyruvate kinase via pH-sensing regions.
Dev Cell
(2024)
59
1876
(doi: 10.1016/j.devcel.2024.04.018)