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Currently displaying 6081 - 6100 of 29854 publications

Novel semiconducting iron-quinizarin metal-organic framework for application in supercapacitors*

S Agrawal, SM Clarke, IJ Vitorica-Yrezabal, C Liu, W Fang, PT Wood, D Wright

Molecular Physics

(2019)

117

3424

(doi: 10.1080/00268976.2019.1653502)

Predicting Macrocyclic Molecular Recognition with Machine Learning

A Tabet, T Gebhart, G Wu, C Readman, M Pierson Smela, V Rana, C Baker, H Bulstrode, P Anikeeva, DH Rowitch, O Scherman

(2019)

(doi: 10.26434/chemrxiv.9540068.v1)

Hyperuniformity and static structure factor of amorphous silicon in the infinite-wavelength limit

D Dahal, R Atta-Fynn, SR Elliott, P Biswas

Journal of Physics: Conference Series

(2019)

1252

012003

(doi: 10.1088/1742-6596/1252/1/012003)

Organoiron- And Fluoride-Catalyzed Phosphinidene Transfer to Styrenic Olefins in a Stereoselective Synthesis of Unprotected Phosphiranes

MB Geeson, WJ Transue, CC Cummins

Journal of the American Chemical Society

(2019)

141

13336

(doi: 10.1021/jacs.9b07069)

Redox-Guest-Induced Multimode Photoluminescence Switch for Sequential Logic Gates in a Photoactive Coordination Cage.

K Wu, Y-J Hou, Y-L Lu, Y-Z Fan, Y-N Fan, H-J Yu, K Li, M Pan, C-Y Su

Chemistry

(2019)

11903

(doi: 10.1002/chem.201901612)

The Contribution of Backbone Electrostatic Repulsion to DNA Mechanical Properties is Length-Scale-Dependent.

S Xiao, H Liang, DJ Wales

J Phys Chem Lett

(2019)

4829

(doi: 10.1021/acs.jpclett.9b01960)

Modular supramolecular dimerization of optically-tunable extended aryl viologens

M Olesińska, G Wu, S Gómez-Coca, D Antón-García, I Szabó, E Rosta, OA Scherman

Chem Sci

(2019)

8806

(doi: 10.1039/c9sc03057c)

Clear-sky ultraviolet radiation modelling using output from the Chemistry Climate Model Initiative

K Lamy, T Portafaix, B Josse, C Brogniez, S Godin-Beekmann, H Bencherif, L Revell, H Akiyoshi, S Bekki, MI Hegglin, P Jöckel, O Kirner, B Liley, V Marecal, O Morgenstern, A Stenke, G Zeng, NL Abraham, AT Archibald, N Butchart, MP Chipperfield, G Di Genova, M Deushi, SS Dhomse, R-M Hu, D Kinnison, M Kotkamp, R McKenzie, M Michou, FM O'Connor, LD Oman, G Pitari, DA Plummer, JA Pyle, E Rozanov, D Saint-Martin, K Sudo, TY Tanaka, D Visioni, K Yoshida

Atmospheric Chemistry and Physics

(2019)

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

G Drakakis, I Cortés-Ciriano, B Alexander-Dann, A Bender

Curr Protoc Chem Biol

(2019)

e73

(doi: 10.1002/cpch.73)

SLMP53-2 restoreswild-type-like function to mutant p53 through hsp70: Promising activity in hepatocellular carcinoma

S Gomes, B Bosco, JB Loureiro, H Ramos, L Raimundo, J Soares, N Nazareth, V Barcherini, L Domingues, C Oliveira, A Bisio, S Piazza, MR Bauer, JP Brás, MI Almeida, C Gomes, F Reis, AR Fersht, A Inga, MMM Santos, L Saraiva

Cancers (Basel)

(2019)

E1151

(doi: 10.3390/cancers11081151)

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

(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)

Phase behavior of empirical potentials of titanium dioxide

A Reinhardt

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

Chemical Reviews

(2019)

120

919

(doi: 10.1021/acs.chemrev.9b00201)

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

GT Heller, FA Aprile, TCT Michaels, R Limbocker, M Perni, FS Ruggeri, B Mannini, T Löhr, M Bonomi, C Camilloni, A De Simone, IC Felli, R Pierattelli, TPJ Knowles, CM Dobson, M Vendruscolo

(2019)

729392

(doi: 10.1101/729392)

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)