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- Currently displaying 1421 - 1440 of 29308 publications
Rationale for the extrapolation procedure in selected configuration interaction
J Chem Phys
(2024)
160
104102
(doi: 10.1063/5.0192458)
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
(2024)
(doi: 10.26434/chemrxiv-2024-z5jnt)
Understanding Biology in the Age of Artificial Intelligence
(2024)
Impacts of Supercapacitor Electrode Structure on Electrochemical CO2 Capture
(2024)
Susceptibility of hypertensive individuals to acute blood pressure increases in response to personal-level environmental temperature decrease.
Environment international
(2024)
185
108567
(doi: 10.1016/j.envint.2024.108567)
MolScore: A scoring and evaluation framework for de novo drug design
(2024)
(doi: 10.26434/chemrxiv-2023-c4867)
Dynamic mechanostereochemical switching of a co-conformationally flexible [2]catenane controlled by specific ionic guests.
Nature communications
(2024)
15
1952
(doi: 10.1038/s41467-024-46099-w)
Aspects of Isostructurality and Polymorphism in a Diverse Group of Monosubstituted Acetanilides
Crystal Growth & Design
(2024)
24
2552
(doi: 10.1021/acs.cgd.4c00027)
The minimum energy required to build a cell
Scientific reports
(2024)
14
5267
(doi: 10.1038/s41598-024-54303-6)
Fabrication of gradient hydrogels using a thermophoretic approach in microfluidics
Biofabrication
(2024)
16
025023
(doi: 10.1088/1758-5090/ad2b05)
Azobenzene isomerization on a reactive copper surface by efficient decoupling with bulky side groups
Surface Science
(2024)
744
122468
(doi: 10.1016/j.susc.2024.122468)
High-density volumetric super-resolution microscopy
Nature Communications
(2024)
15
1940
(doi: 10.1038/s41467-024-45828-5)
Mold: a LAMMPS package to compute interfacial free energies and nucleation rates
The Journal of Open Source Software
(2024)
9
6083
(doi: 10.21105/joss.06083)
Biomass waste-derived catalysts for biodiesel production: Recent advances and key challenges
Renewable Energy
(2024)
223
120031
(doi: 10.1016/j.renene.2024.120031)
Tertiary Amides as Directing Groups for Enantioselective C−H Amination using Ion-Paired Rhodium Complexes
Angewandte Chemie (International ed. in English)
(2024)
63
e202317489
(doi: 10.1002/anie.202317489)
An Upstream G-Quadruplex DNA Structure Can Stimulate Gene Transcription
ACS Chemical Biology
(2024)
19
736
(doi: 10.1021/acschembio.3c00775)
Continuous flow synthesis enabling reaction discovery.
Chemical Science
(2024)
15
4618
(doi: 10.1039/d3sc06808k)
A Relationship Between Structures and Neurotoxic Effects of Aβ Oligomers Stabilized by Different Metal Ions
ACS Chem Neurosci
(2024)
15
1125
(doi: 10.1021/acschemneuro.3c00718)
Astrocytic RNA editing regulates the host immune response to alpha-synuclein
(2024)
(doi: 10.1101/2024.02.26.582055)