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- Currently displaying 301 - 320 of 30945 publications
DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmation via NMR
Chemical Science
(2026)
17
9138
(doi: 10.1039/D5SC06988B)
False Metallization in Short-Ranged Machine Learned Interatomic Potentials
(2026)
(doi: 10.48550/arxiv.2603.04228)
Operando Microscopy of Photosynthetic Microbial Biohybrids Using Fluorescent Chemical Probes.
ACS Electrochemistry
(2026)
2
964
Solar Air-to-Fuel Technologies for a Circular Carbon Economy
J Am Chem Soc
(2026)
148
10267
(doi: 10.1021/jacs.5c21750)
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores
(2026)
(doi: 10.64898/2026.03.02.709004)
Scaling Relations of Multicomponent Phase Coexistence Boundaries
PRX Life
(2026)
4
013026
(doi: 10.1103/t2v5-49k4)
Charge-triggered switching mechanism in selenium selector enabling ultralow leakage current.
Nat Mater
(2026)
25
651
(doi: 10.1038/s41563-026-02499-5)
Anode-Free Cell Concepts: Critical Analysis and Development of Practical Batteries.
Small
(2026)
22
e13633
(doi: 10.1002/smll.202513633)
Atomistic Origin of Photoluminescence Quenching in Colloidal MoS<sub>2</sub> and WS<sub>2</sub> Nanoplatelets.
Nano letters
(2026)
26
3064
(doi: 10.1021/acs.nanolett.5c05893)
Dissecting the Binding Interactions of the Chromatin Remodeler SMARCA4 with G-Quadruplex DNA.
Biochemistry
(2026)
65
670
(doi: 10.1021/acs.biochem.5c00750)
Influence of Liquid on Crystallite Size Evolution During Ball Milling
Crystal Growth & Design
(2026)
26
2339
(doi: 10.1021/acs.cgd.5c01662)
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data
J Chem Inf Model
(2026)
66
3129
(doi: 10.1021/acs.jcim.5c02106)
Accelerating CCSD(T) on Graphical Processing Units (GPUs)
The Journal of Physical Chemistry A
(2026)
130
2225
(doi: 10.1021/acs.jpca.5c08113)
Peptide cages: bioinspired supramolecular architectures for next-generation applications
Chem Sci
(2026)
17
6301
(doi: 10.1039/d5sc08607h)
CO<sub>2</sub>, N<sub>2</sub> and H<sub>2</sub> adsorption in Zn<sup>2+</sup>-containing zeolites and metal-organic frameworks.
Phys Chem Chem Phys
(2026)
28
5161
(doi: 10.1039/d5cp04169d)
Highly mutagenic continuous evolution in E. coli using a Φ29-based orthogonal replication system
Nature Biotechnology
(2026)
1
(doi: 10.1038/s41587-025-02944-x)