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Currently displaying 5681 - 5700 of 29414 publications

A Practical Guide to the Simultaneous Determination of Protein Structure and Dynamics Using Metainference.

T Löhr, C Camilloni, M Bonomi, M Vendruscolo

– Methods in molecular biology (Clifton, N.J.)

(2019)

2022,

313

(doi: 10.1007/978-1-4939-9608-7_13)

Concepts and Applications of Conformal Prediction in Computational Drug Discovery

I Cortés-Ciriano, A Bender

(2019)

(link to publication)

Phase behavior of empirical potentials of titanium dioxide

A Reinhardt

– The Journal of Chemical Physics

(2019)

151,

064505

(doi: 10.1063/1.5115161)

Particulate Photocatalysts for Light-Driven Water Splitting: Mechanisms, Challenges, and Design Strategies.

Q Wang, K Domen

– Chem Rev

(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.

RL Siegelman, PJ Milner, AC Forse, J-H Lee, KA Colwell, JB Neaton, JA Reimer, SC Weston, JR Long

– J Am Chem Soc

(2019)

141,

13171

(doi: 10.1021/jacs.9b05567)

Ethynylbenziodoxolone Reactivity in Cysteine Bioconjugation

SR Adusumalli, GJL Bernardes

– Chem

(2019)

1932

(doi: 10.1016/j.chempr.2019.07.014)

Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease

G Heller, F Aprile, T Michaels, R Limbocker, M Perni, FS Ruggeri, B Mannini, T Löhr, M Bonomi, C Camilloni, A De Simone, I Felli, R Pierattelli, T Knowles, C Dobson, M Vendruscolo

(2019)

729392

(doi: 10.1101/729392)

When Do Anisotropic Magnetic Susceptibilities Lead to Large NMR Shifts? Exploring Particle Shape Effects in the Battery Electrode Material LiFePO4

R Pigliapochi, L O'Brien, AJ Pell, MW Gaultois, Y Janssen, PG Khalifah, CP Grey

– 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

MS Vezie, M Azzouzi, AM Telford, TR Hopper, AB Sieval, JC Hummelen, K Fallon, H Bronstein, T Kirchartz, AA Bakulin, TM Clarke, J Nelson

– ACS Energy Letters

(2019)

2096

(doi: 10.1021/acsenergylett.9b01368)

Catalytic Homogeneous Hydrogenation of CO to Methanol via Formamide

S Kar, A Goeppert, GKS Prakash

– J Am Chem Soc

(2019)

141,

12518

(doi: 10.1021/jacs.9b06586)

Hematite Photoanodes for Solar Water Splitting: A Detailed Spectroelectrochemical Analysis on the pH-Dependent Performance

Y Liu, F Le Formal, F Boudoire, N Guijarro

– ACS Applied Energy Materials

(2019)

6825

(doi: 10.1021/acsaem.9b01261)

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

A Zherebker, DC Podgorski, VA Kholodov, AA Orlov, NV Yaroslavtseva, O Kharybin, A Kholodov, V Spector, RGM Spencer, E Nikolaev, IV Perminova

– Journal of Geophysical Research Biogeosciences

(2019)

124,

2432

(doi: 10.1029/2018jg004743)

Scale-Bridging 3D-Analysis of Colloidal Clusters Using 360° Electron Tomography and X-Ray Nano-CT

S Englisch, J Wirth, T Przybilla, B Apeleo Zubiri, J Wang, N Vogel, E Spiecker

– Microscopy and Microanalysis

(2019)

25,

392