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- Currently displaying 2201 - 2220 of 29865 publications
Using Transcriptomics and Cell Morphology Data in Drug Discovery: The Long Road to Practice.
ACS Med Chem Lett
(2023)
14
386
Selective Aurora A-TPX2 interaction inhibitors have in vivo efficacy as targeted anti-mitotic agents
(2023)
(doi: 10.1101/2023.03.22.533679)
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)
Photosynthesis re-wired on the pico-second timescale.
Nature
(2023)
615
836
(doi: 10.1038/s41586-023-05763-9)
Atom-Precise Heteroatom Core-Tailoring of Nanoclusters for Enhanced Solar Hydrogen Generation.
Adv Mater
(2023)
35
e2207765
(doi: 10.1002/adma.202207765)
Covalent Organic Frameworks as Porous Pigments for Photocatalytic Metal-Free C-H Borylation
J Am Chem Soc
(2023)
145
7592
(doi: 10.1021/jacs.3c00950)
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)
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 Environmental Au
(2023)
3
164
(doi: 10.1021/acsenvironau.2c00055)
Multidimensional Protein Solubility Optimization with an Ultrahigh-Throughput Microfluidic Platform.
Analytical Chemistry
(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)
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)
Direct Calculation of the Interfacial Free Energy between NaCl Crystal and Its Aqueous Solution at the Solubility Limit.
Physical review letters
(2023)
130
118001
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)
Comparison of Matsubara dynamics with exact quantum dynamics for an oscillator coupled to a dissipative bath.
The Journal of chemical physics
(2023)
158
114106
(doi: 10.1063/5.0138250)
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm
J Phys Chem A
(2023)
127
2628
(doi: 10.1021/acs.jpca.2c08250)
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)