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- Currently displaying 1161 - 1180 of 31159 publications
Allosteric regulation in metal-organic cages
Nature Synthesis
(2025)
4
1
(doi: 10.1038/s44160-025-00799-3)
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.
Chemical Research in Toxicology
(2025)
38
759
Prediction of Antibody Non-Specificity using Protein Language Models and Biophysical Parameters
(2025)
(doi: 10.1101/2025.04.28.650927)
Properties of NaPF 6 electrolytes and effect of electrolyte concentration on performance in sodium-ion batteries †
(2025)
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner.
Communications Chemistry
(2025)
8
133
(doi: 10.1038/s42004-025-01524-z)
Basis Set Incompleteness Errors in Fixed-Node Diffusion Monte Carlo Calculations on Noncovalent Interactions
Journal of chemical theory and computation
(2025)
21
4426
(doi: 10.1021/acs.jctc.4c01631)
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions.
Journal of chemical information and modeling
(2025)
65
4501
(doi: 10.1021/acs.jcim.4c02143)
Machine Learning Force Fields for Modelling Reactions at Complex Interfaces
(2025)
(doi: 10.17863/CAM.127112)
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture.
J Am Chem Soc
(2025)
147
16189
(doi: 10.1021/jacs.5c00999)
Single-molecule profiling of tau aggregates in tauopathies: From test tube to patient
(2025)
(doi: 10.17863/CAM.121423)
Proton-driven lithium separation using alkali-templated coordination cages
Chem
(2025)
11
102556
(doi: 10.1016/j.chempr.2025.102556)
Protons Accumulate at the Graphene–Water Interface
ACS nano
(2025)
19
17728
(doi: 10.1021/acsnano.5c02053)
Supramolecular Conductive Hydrogels With Homogeneous Ionic and Electronic Transport
Advanced Materials
(2025)
37
e2415687
(doi: 10.1002/adma.202415687)
Regulating Biocondensates within Synthetic Cells via Segregative Phase Separation
ACS Nano
(2025)
19
20550
(doi: 10.1021/acsnano.4c18971)
Rational Design of Single‐Domain Antibodies Targeting the Central Nervous System Neurite Outgrowth Inhibitor Nogo‐A
Applied Research
(2025)
4
e70012
(doi: 10.1002/appl.70012)
Chalcogen Vacancies Rule Charge Recombination in Pnictogen Chalcohalide Solar-Cell Absorbers
(2025)
(doi: 10.48550/arxiv.2504.18089)
Nanosecond structural evolution in shocked coesite
Sci Adv
(2025)
11
eads3139
(doi: 10.1126/sciadv.ads3139)
Development, uncertainty quantification, and reduction of a dimethyl sulfide oxidation mechanism
(2025)
(doi: 10.17863/CAM.121397)
Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO2
Journal of Physics Condensed Matter
(2025)
37
205401
(doi: 10.1088/1361-648x/adcb0e)