Tips on using this search form
- All search terms are case-insensitive
- If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
- To reset the search form, click here
- Currently displaying 2121 - 2140 of 30304 publications
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.
J Cheminform
(2023)
15
124
(doi: 10.1186/s13321-023-00794-w)
Impacts of supercapacitor electrode structure on electrochemical CO2 capture
(2023)
(doi: 10.26434/chemrxiv-2023-nj817)
Structural Disorder Determines Capacitance in Nanoporous Carbons
(2023)
(doi: 10.26434/chemrxiv-2023-bd24m)
Diamond-Like Carbon: A Surface for Extreme, High-Wear Environments
Langmuir : the ACS journal of surfaces and colloids
(2023)
40
52
(doi: 10.1021/acs.langmuir.3c01438)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors
J Chem Theory Comput
(2023)
20
469
(doi: 10.1021/acs.jctc.3c01224)
RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds
(2023)
(doi: 10.1101/2023.12.18.572148)
Nonspecificity fingerprints for clinical-stage antibodies in solution
Proceedings of the National Academy of Sciences
(2023)
120
e2306700120
(doi: 10.1073/pnas.2306700120)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-Like Molecules
J Chem Theory Comput
(2023)
20
164
(doi: 10.1021/acs.jctc.3c00710)
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
(2023)
(doi: 10.17863/CAM.106755)
Cerebral organoids with chromosome 21 trisomy secrete Alzheimer's disease-related soluble aggregates detectable by single-molecule-fluorescence and super-resolution microscopy.
Molecular psychiatry
(2023)
29
369
(doi: 10.1038/s41380-023-02333-3)
Publisher Correction: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD.
Nature structural & molecular biology
(2023)
31
390
(doi: 10.1038/s41594-023-01179-1)
The sensitivity of Southern Ocean atmospheric dimethyl sulfide (DMS) to modeled oceanic DMS concentrations and emissions
Atmospheric Chemistry and Physics
(2023)
23
15181
(doi: 10.5194/acp-23-15181-2023)
Modulating the valence electronic structure using earth-abundant aluminum for high-performance acidic oxygen evolution reaction
Chem
(2023)
9
3600
(doi: 10.1016/j.chempr.2023.08.006)
Employment of Alkoxy Sidechains in Semicrystalline Semiconducting Polymers for Ambient-Stable p‑Doped Conjugated Polymers
Macromolecules
(2023)
57
328
(doi: 10.1021/acs.macromol.3c00211)
Investigation of layered glazes coloured with carbon‐based pigments using micro spatially‐offset Raman spectroscopy
Journal of Raman Spectroscopy
(2023)
55
287
(doi: 10.1002/jrs.6635)
pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML
Chemistry–Methods
(2023)
4
e202300043
(doi: 10.1002/cmtd.202300043)
Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas.
J Am Chem Soc
(2023)
145
27939
(doi: 10.1021/jacs.3c06146)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
(2023)
Jahn-Teller distortions and phase transitions in LiNiO2: Insights from ab initio molecular dynamics and variable-temperature X-ray diffraction
(2023)
(doi: 10.26434/chemrxiv-2023-q3cmz)
Development and application of chemical linking strategies for post-translational protein–protein conjugation
(2023)
(doi: 10.17863/CAM.108269)