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- Currently displaying 1141 - 1160 of 30389 publications
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)
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules.
Chem Rev
(2025)
125
1629
(doi: 10.1021/acs.chemrev.4c00505)
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system
Nat Chem Biol
(2025)
21
883
(doi: 10.1038/s41589-024-01811-1)
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
PLoS Computational Biology
(2025)
21
e1012737
(doi: 10.1371/journal.pcbi.1012737)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
(2025)
A pseudo-cubic metal–organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation
Nat Chem
(2025)
17
289
(doi: 10.1038/s41557-024-01708-5)
Detecting the Undetectable: Advances in Methods for Identifying Small Tau Aggregates in Neurodegenerative Diseases
Chembiochem
(2025)
26
e202400877
(doi: 10.1002/cbic.202400877)
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
Big data and simulations in NMR crystallography: general discussion
Faraday Discussions
(2025)
255
159
(doi: 10.1039/d4fd90054e)
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)
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)
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)
Accessing iridium Cp* as a cofactor for artificial metalloenzymes.
Journal of Inorganic Biochemistry
(2025)
265
112820
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption
(2025)
Assessing PM2.5 pollution and the role of transboundary pollution emissions across Greater Kuala Lumpur, Malaysia from 2018 to 2023
(2025)
(doi: 10.17863/CAM.117887)
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)