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- Currently displaying 821 - 840 of 29639 publications
Optical materials discovery and design with federated databases and machine learning
Faraday discussions
(2025)
256
459
(doi: 10.1039/d4fd00092g)
Discovering structure-property correlations: general discussion
Faraday Discussions
(2025)
256
373
(doi: 10.1039/d4fd90062f)
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
PLOS Computational Biology
(2025)
21
e1012737
(doi: 10.1371/journal.pcbi.1012737)
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system
Nature Chemical Biology
(2025)
21
883
(doi: 10.1038/s41589-024-01811-1)
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules
Chemical Reviews
(2025)
125
1629
(doi: 10.1021/acs.chemrev.4c00505)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
(2025)
Detecting the Undetectable: Advances in Methods for Identifying Small Tau Aggregates in Neurodegenerative Diseases
Chembiochem : a European journal of chemical biology
(2025)
26
e202400877
(doi: 10.1002/cbic.202400877)
Big data and simulations in NMR crystallography: general discussion
Faraday Discuss
(2025)
255
159
(doi: 10.1039/d4fd90054e)
Generating models that describe complex disorder: general discussion
Faraday Discuss
(2025)
255
391
(doi: 10.1039/d4fd90056a)
A pseudo-cubic metal–organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation
Nat Chem
(2025)
17
1
(doi: 10.1038/s41557-024-01708-5)
Controlled Structural Activation of Iridium Single Atom Catalyst for High-Performance Proton Exchange Membrane Water Electrolysis.
Journal of the American Chemical Society
(2025)
147
2369
(doi: 10.1021/jacs.4c11442)
Prediction of protein biophysical traits from limited data: a case study on nanobody thermostability through NanoMelt.
MAbs
(2025)
17
2442750
Decoding Phase Separation of Prion-Like Domains through Data-Driven Scaling Laws
(2025)
(doi: 10.7554/elife.99068.2)
Thermal Annealing-Induced Phase Conversion in N-type Triple-Cation Lead-Based Perovskite Field Effect Transistors
ACS Applied Materials & Interfaces
(2025)
17
8501
(doi: 10.1021/acsami.4c17017)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
(2025)
Accessing iridium Cp* as a cofactor for artificial metalloenzymes.
J Inorg Biochem
(2025)
265
112820
Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS
Angewandte Chemie
(2025)
137
(doi: 10.1002/ange.202408704)
A Temporal Bias Correction using a Machine Learning Attention model.
Environmental Data Science
(2025)
3
ARTN e36
(doi: 10.1017/eds.2024.42)
Tuning the selectivity of NH3 oxidation via cooperative electronic interactions between platinum and copper sites.
Nat Commun
(2025)
16
26
(doi: 10.1038/s41467-024-54820-y)
Structural and electronic features enabling delocalized charge-carriers in CuSbSe2
Nature Communications
(2025)
16
65
(doi: 10.1038/s41467-024-55254-2)