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- Currently displaying 2241 - 2260 of 29261 publications
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra.
The Journal of Physical Chemistry Letters
(2023)
14
3063
(doi: 10.1021/acs.jpclett.3c00398)
Atom-Precise Heteroatom Core-Tailoring of Nanoclusters for Enhanced Solar Hydrogen Generation
Adv Mater
(2023)
35
e2207765
(doi: 10.1002/adma.202207765)
Photosynthesis re-wired on the pico-second timescale.
Nature
(2023)
615
836
(doi: 10.1038/s41586-023-05763-9)
Selective Aurora A-TPX2 interaction inhibitors have in vivo efficacy as targeted anti-mitotic agents
(2023)
(doi: 10.1101/2023.03.22.533679)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence
Journal of cheminformatics
(2023)
15
36
(doi: 10.1186/s13321-023-00706-y)
α-synuclein oligomers displace monomeric α-synuclein from lipid membranes
(2023)
(doi: 10.1101/2023.03.21.533646)
Covalent Organic Frameworks as Porous Pigments for Photocatalytic Metal-Free C-H Borylation.
Journal of the American Chemical Society
(2023)
145
7592
(doi: 10.1021/jacs.3c00950)
AlphaFold Prediction of Structural Ensembles of Disordered Proteins
(2023)
(doi: 10.21203/rs.3.rs-2659892/v1)
Exploration and Exploitation Approaches Based on Generative Machine Learning to Identify Potent Small Molecule Inhibitors of α‑Synuclein Secondary Nucleation
Journal of chemical theory and computation
(2023)
19
4701
(doi: 10.1021/acs.jctc.2c01303)
The Influence of Protein Charge and Molecular Weight on the Affinity of Aptamers.
Pharmaceuticals (Basel, Switzerland)
(2023)
16
457
(doi: 10.3390/ph16030457)
Tracking the Photomineralization Mechanism in Irradiated Lab-Generated and Field-Collected Brown Carbon Samples and Its Effect on Cloud Condensation Nuclei Abilities
ACS Environ Au
(2023)
3
164
(doi: 10.1021/acsenvironau.2c00055)
Multidimensional Protein Solubility Optimization with an Ultrahigh-Throughput Microfluidic Platform.
Anal Chem
(2023)
95
5362
(doi: 10.1021/acs.analchem.2c05495)
Kinetic Analysis Reveals the Role of Secondary Nucleation in Regenerated Silk Fibroin Self-Assembly.
Biomacromolecules
(2023)
24
1709
(doi: 10.1021/acs.biomac.2c01479)
Scalable Palladium-Catalyzed C(sp3)–H Carbonylation of Alkylamines in Batch and Continuous Flow
Organic Process Research & Development
(2023)
27
649
(doi: 10.1021/acs.oprd.2c00378)
Direct Calculation of the Interfacial Free Energy between NaCl Crystal and its Aqueous Solution at the Solubility Limit
Physical Review Letters
(2023)
130
118001
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.
Journal of Chemical Physics
(2023)
158
114106
(doi: 10.1063/5.0138250)
Pantothenate biosynthesis in Toxoplasma gondii tachyzoites is not a drug target
International Journal for Parasitology Drugs and Drug Resistance
(2023)
22
1
(doi: 10.1016/j.ijpddr.2023.03.003)
Mechanism of action deconvolution of the small-molecule pathological tau aggregation inhibitor Anle138b
Alzheimer's Research & Therapy
(2023)
15
52
(doi: 10.1186/s13195-023-01182-0)
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm
Journal of Physical Chemistry A
(2023)
127
2628
(doi: 10.1021/acs.jpca.2c08250)
A Double-Walled Tetrahedron with AgI 4 Vertices Binds Different Guests in Distinct Sites.
Angew Chem Int Ed Engl
(2023)
62
e202301612
(doi: 10.1002/anie.202301612)