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- Currently displaying 2481 - 2500 of 29634 publications
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)
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)
Associations of air pollution mixtures with ambulatory blood pressure: The MobiliSense sensor-based study
Environ Res
(2023)
227
115720
(doi: 10.1016/j.envres.2023.115720)
The Influence of Protein Charge and Molecular Weight on the Affinity of Aptamers
Pharmaceuticals
(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
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)
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)
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
Physical Review Materials
(2023)
7
035402
A Double-Walled Tetrahedron with AgI4 Vertices Binds Different Guests in Distinct Sites
Angew Chem Int Ed Engl
(2023)
62
e202301612
(doi: 10.1002/anie.202301612)
Chemical Validation of Mycobacterium tuberculosis Phosphopantetheine Adenylyltransferase Using Fragment Linking and CRISPR Interference**
Angewandte Chemie International Edition
(2023)
62
e202300221
(doi: 10.1002/anie.202300221)
Modulating Nucleic Acid Phase Transitions as a Mechanism of Action for Cell-Penetrating Antimicrobial Peptides
(2023)
(doi: 10.1101/2023.03.11.532143)
Phase separation and molecular ordering of the prion-like domain of the thermosensory protein EARLY FLOWERING 3
(2023)
(doi: 10.1101/2023.03.12.532276)