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- Currently displaying 5721 - 5740 of 29493 publications
Predicting Macrocyclic Molecular Recognition with Machine Learning
(2019)
(doi: 10.26434/chemrxiv.9540068.v1)
The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.
– The journal of physical chemistry letters
(2019)
10,
4829
(doi: 10.1021/acs.jpclett.9b01960)
Modular supramolecular dimerization of optically tunable extended aryl viologens.
– Chemical science
(2019)
10,
8806
(doi: 10.1039/c9sc03057c)
Clear-sky ultraviolet radiation modelling using output from the Chemistry Climate Model Initiative
– Atmospheric Chemistry and Physics
(2019)
19,
10087
(doi: 10.5194/acp-19-10087-2019)
Elucidating Compound Mechanism of Action and Predicting Cytotoxicity Using Machine Learning Approaches, Taking Prediction Confidence into Account
– Current Protocols in Chemical Biology
(2019)
11,
e73
(doi: 10.1002/cpch.73)
SLMP53-2 Restores Wild-Type-Like Function to Mutant p53 through Hsp70: Promising Activity in Hepatocellular Carcinoma.
– Cancers (Basel)
(2019)
11,
E1151
(doi: 10.3390/cancers11081151)
Concepts and Applications of Conformal Prediction in Computational Drug
Discovery
(2019)
A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference
– Methods in molecular biology (Clifton, N.J.)
(2019)
2022,
313
(doi: 10.1007/978-1-4939-9608-7_13)
Phase behavior of empirical potentials of titanium dioxide
– Journal of Chemical Physics
(2019)
151,
064505
(doi: 10.1063/1.5115161)
Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies
– Chemical Reviews
(2019)
120,
919
(doi: 10.1021/acs.chemrev.9b00201)
Water Enables Efficient CO2 Capture from Natural Gas Flue Emissions in an Oxidation-Resistant Diamine-Appended Metal-Organic Framework.
– J Am Chem Soc
(2019)
141,
13171
(doi: 10.1021/jacs.9b05567)
Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease
(2019)
729392
(doi: 10.1101/729392)
Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation
– Chem
(2019)
5,
1932
(doi: 10.1016/j.chempr.2019.07.014)
When Do Anisotropic Magnetic Susceptibilities Lead to Large NMR Shifts? Exploring Particle Shape Effects in the Battery Electrode Material LiFePO4
– Journal of the American Chemical Society
(2019)
141,
13089
(doi: 10.1021/jacs.9b04674)
Impact of Marginal Exciton–Charge-Transfer State Offset on Charge Generation and Recombination in Polymer:Fullerene Solar Cells
– ACS Energy Letters
(2019)
4,
2096
Hematite Photoanodes for Solar Water Splitting: A Detailed Spectroelectrochemical Analysis on the pH-Dependent Performance
– ACS Applied Energy Materials
(2019)
2,
6825
(doi: 10.1021/acsaem.9b01261)
Catalytic Homogeneous Hydrogenation of CO to Methanol via Formamide.
– J Am Chem Soc
(2019)
141,
12518
(doi: 10.1021/jacs.9b06586)
Scale-Bridging 3D-Analysis of Colloidal Clusters Using 360° Electron Tomography and X-Ray Nano-CT
– Microscopy and Microanalysis
(2019)
25,
392
(doi: 10.1017/s1431927619002691)
The Molecular Composition of Humic Substances Isolated From Yedoma Permafrost and Alas Cores in the Eastern Siberian Arctic as Measured by Ultrahigh Resolution Mass Spectrometry
– Journal of Geophysical Research Biogeosciences
(2019)
124,
2432
(doi: 10.1029/2018JG004743)
Recent Advances in Minisci-Type Reactions.
– Angew Chem Int Ed Engl
(2019)
58,
13666
(doi: 10.1002/anie.201900977)