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- Currently displaying 1161 - 1180 of 30427 publications
Optical materials discovery and design with federated databases and machine learning
Faraday Discuss
(2025)
256
459
(doi: 10.1039/d4fd00092g)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
Faraday Discussions
(2025)
256
120
(doi: 10.1039/d4fd00107a)
Discovering synthesis targets: general discussion.
Faraday Discussions
(2025)
256
639
(doi: 10.1039/d4fd90064b)
Discovering structure-property correlations: general discussion
Faraday discussions
(2025)
256
373
(doi: 10.1039/d4fd90062f)
Discovering trends in big data: general discussion
Faraday Discuss
(2025)
256
520
(doi: 10.1039/d4fd90063d)
Modular perovskite-BiVO4 artificial leaves towards syngas synthesis on a m2 scale
Energy and Environmental Sciences
(2025)
18
3623
(doi: 10.1039/D4EE05780E)
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
Plos Computational Biology
(2025)
21
e1012737
(doi: 10.1371/journal.pcbi.1012737)
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules.
Chemical reviews
(2025)
125
1629
(doi: 10.1021/acs.chemrev.4c00505)
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system
Nature chemical biology
(2025)
21
883
(doi: 10.1038/s41589-024-01811-1)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
(2025)
Controlled Structural Activation of Iridium Single Atom Catalyst for High-Performance Proton Exchange Membrane Water Electrolysis.
J Am Chem Soc
(2025)
147
2369
(doi: 10.1021/jacs.4c11442)
Generating models that describe complex disorder: general discussion.
Faraday Discuss
(2025)
255
391
(doi: 10.1039/d4fd90056a)
Prediction of protein biophysical traits from limited data: a case study on nanobody thermostability through NanoMelt.
Mabs
(2025)
17
2442750
Detecting the Undetectable: Advances in Methods for Identifying Small Tau Aggregates in Neurodegenerative Diseases
Chembiochem
(2025)
26
e202400877
(doi: 10.1002/cbic.202400877)
A pseudo-cubic metal-organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation.
Nature Chemistry
(2025)
17
1
(doi: 10.1038/s41557-024-01708-5)
Big data and simulations in NMR crystallography: general discussion
Faraday Discussions
(2025)
255
159
(doi: 10.1039/d4fd90054e)
Formulate a concentrated highly branched poly(β-amino ester)/DNA polyplex - one step closer to application in lung cystic fibrosis disease.
Drug Dev Ind Pharm
(2025)
51
91
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
(2025)
(doi: 10.7554/elife.99068.2)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
(2025)