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- Currently displaying 361 - 380 of 29853 publications
Machine Learning for Toxicity Prediction Using Chemical Structures: Pillars for Success in the Real World.
Chemical Research in Toxicology
(2025)
38
759
Allosteric regulation in metal-organic cages
Nature Synthesis
(2025)
4
537
(doi: 10.1038/s44160-025-00799-3)
Prediction of Antibody Non-Specificity using Protein Language Models and Biophysical Parameters
(2025)
(doi: 10.1101/2025.04.28.650927)
A single fibril study reveals that ApoE inhibits the elongation of Aβ42 fibrils in an isoform-dependent manner.
Commun Chem
(2025)
8
133
(doi: 10.1038/s42004-025-01524-z)
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions
J Chem Inf Model
(2025)
65
4501
(doi: 10.1021/acs.jcim.4c02143)
Solvation energies from atomic surface site interaction points
Physical chemistry chemical physics : PCCP
(2025)
27
8844
(doi: 10.1039/d5cp00635j)
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)
Single-molecule profiling of tau aggregates in tauopathies: From test tube to patient
(2025)
(doi: 10.17863/CAM.121423)
Breaking Supercapacitor Symmetry Enhances Electrochemical Carbon Dioxide Capture.
Journal of the American Chemical Society
(2025)
147
16189
(doi: 10.1021/jacs.5c00999)
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 (Deerfield Beach, Fla.)
(2025)
37
e2415687
(doi: 10.1002/adma.202415687)
Rational design of single-domain antibodies targeting the central nervous system neurite outgrowth inhibitor Nogo-A
Applied Research
(2025)
4
ARTN e70012
(doi: 10.1002/appl.70012)
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)
Solid-State Nuclear Magnetic Resonance Investigations of the Lithium- and Sodium-Storage Mechanisms of Pyrolytic Phosphorus-Carbon Composites
Chemsuschem
(2025)
18
e202500103
(doi: 10.1002/cssc.202500103)
Selective Block Copolymerization of Lactide and Methyl Methacrylate with Cationic Indium Catalysts: Exploring the Influence of Noncovalent Ligand Interactions
ACS Catalysis
(2025)
15
7588
(doi: 10.1021/acscatal.5c00092)
Development of D-box peptides to inhibit the Anaphase Promoting Complex/Cyclosome
(2025)
(doi: 10.7554/elife.104238.2)
Sol-Gel-Derived Transparent Amino-Modified UiO-66 MOF Porous Films as Promising Photonic Platforms
ACS Applied Optical Materials
(2025)
3
1088
(doi: 10.1021/acsaom.5c00062)